ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine

C237H378N30O6 — CID 158832626

IUPACethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c(cn1)CCCCC2.c1cc2c(cn1)CCCCN2.c1cc2c(cn1)CCCNC2.c1cc2c(cn1)CNCCC2.c1cc2c(cn1)NCCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCCO2.c1ccc2c(c1)CCCNN2.c1ccc2c(c1)CCCOC2.c1ccc2c(c1)CCOCC2.c1ccc2c(c1)CCOCN2.c1ccc2c(c1)CNCCN2.c1ccc2c(c1)CNCNC2.c1ccc2c(c1)COCCN2.c1ccc2c(c1)NCCCN2.c1ccc2c(c1)NCCCO2.c1cnc2c(c1)CCCCC2.c1cnc2c(c1)CCCCN2.c1cnc2c(c1)CCCNC2.c1cnc2c(c1)CNCCC2.c1cnc2c(c1)NCCCC2
InChIInChI=1S/3C10H13N.3C10H12O.12C9H12N2.3C9H11NO.21C2H6/c1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-9-6-4-8-11-10(9)7-3-1;1-2-4-9-6-7-11-8-10(9)5-3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;1-3-8-7-10-5-2-4-9(8)11-6-1;1-3-8-4-2-6-11-9(8)7-10-5-1;1-2-8-6-11-5-3-9(8)7-10-4-1;1-2-8-3-5-11-7-9(8)6-10-4-1;1-2-6-10-9-5-3-7-11-8(9)4-1;1-2-6-10-9-8(4-1)5-3-7-11-9;1-2-6-9-8(4-1)5-3-7-10-11-9;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-5-11-9-4-6-10-7-8(9)3-1;1-2-5-11-9-7-10-6-4-8(9)3-1;1-2-4-9-6-11-7-10-5-8(9)3-1;1-2-4-9-8(3-1)7-10-5-6-11-9;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-4-9-8(3-1)7-11-6-5-10-9;1-2-4-9-8(3-1)5-6-11-7-10-9;21*1-2/h1-2,5,7,11H,3-4,6,8H2;4,6,8H,1-3,5,7H2;6-8H,1-5H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-4H,5-8H2;1,3,6,10H,2,4-5,7H2;2,4,6,10H,1,3,5,7H2;3,5-6,10H,1-2,4,7H2;2*3,5,7,10H,1-2,4,6H2;3,5,7H,1-2,4,6H2,(H,10,11);1-2,4,6,10-11H,3,5,7H2;1-2,4-5,10-11H,3,6-7H2;2*4,6-7,11H,1-3,5H2;2*1-4,10-11H,5-7H2;1-2,4-5,10H,3,6-7H2;2*1-4,10H,5-7H2;21*1-2H3
InChIKeyIXFVETYFIHNVCV-UHFFFAOYSA-N
MW3743.83 g/mol
LogP57.47
Rot. Bonds

About ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine

ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine (PubChem CID 158832626) has the molecular formula C237H378N30O6 and a molecular weight of 3743.83 g/mol. Its IUPAC name is ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine.

Molecular Properties

Compound Nameethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine
PubChem CID158832626
Molecular FormulaC237H378N30O6
Molecular Weight3743.83 g/mol
Exact Mass3741.02
IUPAC Nameethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c(cn1)CCCCC2.c1cc2c(cn1)CCCCN2.c1cc2c(cn1)CCCNC2.c1cc2c(cn1)CNCCC2.c1cc2c(cn1)NCCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCCO2.c1ccc2c(c1)CCCNN2.c1ccc2c(c1)CCCOC2.c1ccc2c(c1)CCOCC2.c1ccc2c(c1)CCOCN2.c1ccc2c(c1)CNCCN2.c1ccc2c(c1)CNCNC2.c1ccc2c(c1)COCCN2.c1ccc2c(c1)NCCCN2.c1ccc2c(c1)NCCCO2.c1cnc2c(c1)CCCCC2.c1cnc2c(c1)CCCCN2.c1cnc2c(c1)CCCNC2.c1cnc2c(c1)CNCCC2.c1cnc2c(c1)NCCCC2
InChIInChI=1S/3C10H13N.3C10H12O.12C9H12N2.3C9H11NO.21C2H6/c1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-9-6-4-8-11-10(9)7-3-1;1-2-4-9-6-7-11-8-10(9)5-3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;1-3-8-7-10-5-2-4-9(8)11-6-1;1-3-8-4-2-6-11-9(8)7-10-5-1;1-2-8-6-11-5-3-9(8)7-10-4-1;1-2-8-3-5-11-7-9(8)6-10-4-1;1-2-6-10-9-5-3-7-11-8(9)4-1;1-2-6-10-9-8(4-1)5-3-7-11-9;1-2-6-9-8(4-1)5-3-7-10-11-9;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-5-11-9-4-6-10-7-8(9)3-1;1-2-5-11-9-7-10-6-4-8(9)3-1;1-2-4-9-6-11-7-10-5-8(9)3-1;1-2-4-9-8(3-1)7-10-5-6-11-9;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-4-9-8(3-1)7-11-6-5-10-9;1-2-4-9-8(3-1)5-6-11-7-10-9;21*1-2/h1-2,5,7,11H,3-4,6,8H2;4,6,8H,1-3,5,7H2;6-8H,1-5H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-4H,5-8H2;1,3,6,10H,2,4-5,7H2;2,4,6,10H,1,3,5,7H2;3,5-6,10H,1-2,4,7H2;2*3,5,7,10H,1-2,4,6H2;3,5,7H,1-2,4,6H2,(H,10,11);1-2,4,6,10-11H,3,5,7H2;1-2,4-5,10-11H,3,6-7H2;2*4,6-7,11H,1-3,5H2;2*1-4,10-11H,5-7H2;1-2,4-5,10H,3,6-7H2;2*1-4,10H,5-7H2;21*1-2H3
InChIKeyIXFVETYFIHNVCV-UHFFFAOYSA-N
XLogP57.47
TPSA424.88 Ų
H-Bond Donors20
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003743.83
LogP ≤ 557.47
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

Analyze ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine with MolForge

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Launch Full Analysis

Related Compounds

3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-2H-thiochromene 1,1-dioxide;ethane;bis(2,3,4,5-tetrahydro-1H-1-benzazepine);2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline
CID 159562537
ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine
CID 158071655
1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine
CID 159813079
4H-1,3-benzodioxine;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;ethane;isoquinoline;quinoline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 162229941
2-azabicyclo[2.2.1]heptane;1-benzofuran;3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;methane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;1,2,3,4-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[2,3-c]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 159313807
2-azabicyclo[2.2.1]heptane;1,3-benzodioxole;1-benzofuran;2H-benzotriazole;3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;1,2,3,4-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[2,3-c]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 160577029
2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-2H-thiochromene;morpholine;oxane;piperidine;1,2,3,4-tetrahydroquinoline;thiane;thiomorpholine
CID 159628240
3,4,4a,5,6,7,8,8a-octahydro-2H-chromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;6,7-dihydro-5H-thieno[3,2-b]pyran;6,7-dihydro-4H-thieno[3,2-c]pyran;octadecakis(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);4,5,6,7-tetrahydrothieno[2,3-b]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 158599647
6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine
CID 67451485
2-azabicyclo[2.2.1]heptane;1-benzofuran;3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;1,2,3,4-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[2,3-c]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 162100769
morpholine;1,2,3,4-tetrahydroquinoline
CID 67874658
2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene
CID 14892737

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine?
The IUPAC name of ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine (CID 158832626) is ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine.
What is the SMILES notation for ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine?
The canonical SMILES for ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c(cn1)CCCCC2.c1cc2c(cn1)CCCCN2.c1cc2c(cn1)CCCNC2.c1cc2c(cn1)CNCCC2.c1cc2c(cn1)NCCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCCO2.c1ccc2c(c1)CCCNN2.c1ccc2c(c1)CCCOC2.c1ccc2c(c1)CCOCC2.c1ccc2c(c1)CCOCN2.c1ccc2c(c1)CNCCN2.c1ccc2c(c1)CNCNC2.c1ccc2c(c1)COCCN2.c1ccc2c(c1)NCCCN2.c1ccc2c(c1)NCCCO2.c1cnc2c(c1)CCCCC2.c1cnc2c(c1)CCCCN2.c1cnc2c(c1)CCCNC2.c1cnc2c(c1)CNCCC2.c1cnc2c(c1)NCCCC2.
What is the InChIKey of ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine?
The InChIKey is IXFVETYFIHNVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H13N.3C10H12O.12C9H12N2.3C9H11NO.21C2H6/c1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-9-6-4-8-11-10(9)7-3-1;1-2-4-9-6-7-11-8-10(9)5-3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;1-3-8-7-10-5-2-4-9(8)11-6-1;1-3-8-4-2-6-11-9(8)7-10-5-1;1-2-8-6-11-5-3-9(8)7-10-4-1;1-2-8-3-5-11-7-9(8)6-10-4-1;1-2-6-10-9-5-3-7-11-8(9)4-1;1-2-6-10-9-8(4-1)5-3-7-11-9;1-2-6-9-8(4-1)5-3-7-10-11-9;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-5-11-9-4-6-10-7-8(9)3-1;1-2-5-11-9-7-10-6-4-8(9)3-1;1-2-4-9-6-11-7-10-5-8(9)3-1;1-2-4-9-8(3-1)7-10-5-6-11-9;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-4-9-8(3-1)7-11-6-5-10-9;1-2-4-9-8(3-1)5-6-11-7-10-9;21*1-2/h1-2,5,7,11H,3-4,6,8H2;4,6,8H,1-3,5,7H2;6-8H,1-5H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-4H,5-8H2;1,3,6,10H,2,4-5,7H2;2,4,6,10H,1,3,5,7H2;3,5-6,10H,1-2,4,7H2;2*3,5,7,10H,1-2,4,6H2;3,5,7H,1-2,4,6H2,(H,10,11);1-2,4,6,10-11H,3,5,7H2;1-2,4-5,10-11H,3,6-7H2;2*4,6-7,11H,1-3,5H2;2*1-4,10-11H,5-7H2;1-2,4-5,10H,3,6-7H2;2*1-4,10H,5-7H2;21*1-2H3.
What are the key properties of ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine?
ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine has a molecular weight of 3743.83 g/mol, XLogP of 57.47, 0 rotatable bonds, 20 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine is sourced from PubChem (CID 158832626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).