1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine)

C228H438N24 — CID 161389291

IUPAC1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine)
SMILESCC(C)/C1=C/CCN(C(C)C)CCC1.CC(C)C1/C=C\CN(C(C)C)CCC1.CC(C)C1=CC=CC=CN1C(C)C.CC(C)C1=CCCCN(C(C)C)C1.CC(C)C1=CN(C(C)C)C=CC=C1.CC(C)C1=CN(C(C)C)CCCC1.CC(C)C1C/C=C\N(C(C)C)CCC1.CC(C)C1C/C=C\N(C(C)C)CCC1.CC(C)C1C=CCCN(C(C)C)C1.CC(C)C1CC=CCN(C(C)C)C1.CC(C)C1CCC=CN(C(C)C)C1.CC(C)C1CCCC=CN1C(C)C.CC(C)C1CCCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)CCC1.CC(C)N1C=CC=CN(C(C)C)C1.CC(C)N1C=CCCN(C(C)C)C1.CC(C)N1C=CCCN(C(C)C)C1.CC(C)N1CC=CCN(C(C)C)C1.CC(C)N1CCCCN(C(C)C)C1
InChIInChI=1S/C13H27N.4C13H25N.C12H25N.5C12H23N.C12H19N.C12H23N.C12H19N.C11H24N2.3C11H22N2.C11H20N2/c5*1-11(2)13-7-5-9-14(12(3)4)10-6-8-13;7*1-10(2)12-7-5-6-8-13(9-12)11(3)4;2*1-10(2)12-8-6-5-7-9-13(12)11(3)4;5*1-10(2)12-7-5-6-8-13(9-12)11(3)4/h11-13H,5-10H2,1-4H3;7,11-12H,5-6,8-10H2,1-4H3;2*5,9,11-13H,6-8,10H2,1-4H3;5,7,11-13H,6,8-10H2,1-4H3;10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;7,10-11H,5-6,8-9H2,1-4H3;6,8,10-12H,5,7,9H2,1-4H3;5,7,10-12H,6,8-9H2,1-4H3;5-6,10-12H,7-9H2,1-4H3;5-11H,1-4H3;7,9-12H,5-6,8H2,1-4H3;5-11H,1-4H3;10-11H,5-9H2,1-4H3;2*5,7,10-11H,6,8-9H2,1-4H3;5-6,10-11H,7-9H2,1-4H3;5-8,10-11H,9H2,1-4H3/b;13-7+;2*9-5-;7-5-;;;;;;;;;;;;;;
InChIKeyVSTPPEBBXLUYMC-AHWXPYSJSA-N
MW3516.18 g/mol
LogP57.56
Rot. Bonds38

About 1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine)

1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine) (PubChem CID 161389291) has the molecular formula C228H438N24 and a molecular weight of 3516.18 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine).

Molecular Properties

Compound Name1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine)
PubChem CID161389291
Molecular FormulaC228H438N24
Molecular Weight3516.18 g/mol
Exact Mass3513.50
IUPAC Name1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine)
SMILESCC(C)/C1=C/CCN(C(C)C)CCC1.CC(C)C1/C=C\CN(C(C)C)CCC1.CC(C)C1=CC=CC=CN1C(C)C.CC(C)C1=CCCCN(C(C)C)C1.CC(C)C1=CN(C(C)C)C=CC=C1.CC(C)C1=CN(C(C)C)CCCC1.CC(C)C1C/C=C\N(C(C)C)CCC1.CC(C)C1C/C=C\N(C(C)C)CCC1.CC(C)C1C=CCCN(C(C)C)C1.CC(C)C1CC=CCN(C(C)C)C1.CC(C)C1CCC=CN(C(C)C)C1.CC(C)C1CCCC=CN1C(C)C.CC(C)C1CCCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)CCC1.CC(C)N1C=CC=CN(C(C)C)C1.CC(C)N1C=CCCN(C(C)C)C1.CC(C)N1C=CCCN(C(C)C)C1.CC(C)N1CC=CCN(C(C)C)C1.CC(C)N1CCCCN(C(C)C)C1
InChIInChI=1S/C13H27N.4C13H25N.C12H25N.5C12H23N.C12H19N.C12H23N.C12H19N.C11H24N2.3C11H22N2.C11H20N2/c5*1-11(2)13-7-5-9-14(12(3)4)10-6-8-13;7*1-10(2)12-7-5-6-8-13(9-12)11(3)4;2*1-10(2)12-8-6-5-7-9-13(12)11(3)4;5*1-10(2)12-7-5-6-8-13(9-12)11(3)4/h11-13H,5-10H2,1-4H3;7,11-12H,5-6,8-10H2,1-4H3;2*5,9,11-13H,6-8,10H2,1-4H3;5,7,11-13H,6,8-10H2,1-4H3;10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;7,10-11H,5-6,8-9H2,1-4H3;6,8,10-12H,5,7,9H2,1-4H3;5,7,10-12H,6,8-9H2,1-4H3;5-6,10-12H,7-9H2,1-4H3;5-11H,1-4H3;7,9-12H,5-6,8H2,1-4H3;5-11H,1-4H3;10-11H,5-9H2,1-4H3;2*5,7,10-11H,6,8-9H2,1-4H3;5-6,10-11H,7-9H2,1-4H3;5-8,10-11H,9H2,1-4H3/b;13-7+;2*9-5-;7-5-;;;;;;;;;;;;;;
InChIKeyVSTPPEBBXLUYMC-AHWXPYSJSA-N
XLogP57.56
TPSA77.76 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds38
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003516.18
LogP ≤ 557.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine) with MolForge

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Related Compounds

1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;1,5-di(propan-2-yl)-1,5-diazocane;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine);bis((7Z)-1,5-di(propan-2-yl)-2,3,4,6-tetrahydro-1,5-diazocine)
CID 157193486
1,3-di(propan-2-yl)azetidine;1,2-di(propan-2-yl)aziridine;1,4-di(propan-2-yl)-2,3-dihydropyrazine;1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,3-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine;1,2-di(propan-2-yl)-2,3-dihydropyrrole;1,2-di(propan-2-yl)-2,5-dihydropyrrole;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)-2,3-dihydropyrrole;1,5-di(propan-2-yl)-2,3-dihydropyrrole;1,3-di(propan-2-yl)-2H-imidazole;1,3-di(propan-2-yl)imidazolidine;1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine
CID 159423216
1,3-di(propan-2-yl)azepane;1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)-1,3-diazepane;1,4-di(propan-2-yl)-1,4-diazepane;1,3-di(propan-2-yl)-1,3-diazinane;1,3-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,3-di(propan-2-yl)imidazolidine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;1,4-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine
CID 158772588
1,2-di(propan-2-yl)azepane;1,4-di(propan-2-yl)azepine;1,4-di(propan-2-yl)-1,4-diazepane;bis(1,4-di(propan-2-yl)-3,5-dihydro-2H-1,4-diazepine);1,4-di(propan-2-yl)-6,7-dihydro-5H-1,4-diazepine;1,4-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,4-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,4-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,5-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,7-di(propan-2-yl)-2,3,4,5-tetrahydroazepine
CID 159909857
(6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine
CID 130305451
methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-pyridine;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-yl-2,5-dihydropyrrole;1-methyl-5-propan-2-yl-2,3-dihydropyrrole;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine
CID 157378305
1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane
CID 159580515
1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)
CID 158565658
ethane;1-propan-2-yl-2,3-dihydroazepine;1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 170601853
3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine
CID 158578107
bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 164980756
1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 161331550

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine)?
The IUPAC name of 1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine) (CID 161389291) is 1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine).
What is the SMILES notation for 1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine)?
The canonical SMILES for 1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine) is CC(C)/C1=C/CCN(C(C)C)CCC1.CC(C)C1/C=C\CN(C(C)C)CCC1.CC(C)C1=CC=CC=CN1C(C)C.CC(C)C1=CCCCN(C(C)C)C1.CC(C)C1=CN(C(C)C)C=CC=C1.CC(C)C1=CN(C(C)C)CCCC1.CC(C)C1C/C=C\N(C(C)C)CCC1.CC(C)C1C/C=C\N(C(C)C)CCC1.CC(C)C1C=CCCN(C(C)C)C1.CC(C)C1CC=CCN(C(C)C)C1.CC(C)C1CCC=CN(C(C)C)C1.CC(C)C1CCCC=CN1C(C)C.CC(C)C1CCCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)CCC1.CC(C)N1C=CC=CN(C(C)C)C1.CC(C)N1C=CCCN(C(C)C)C1.CC(C)N1C=CCCN(C(C)C)C1.CC(C)N1CC=CCN(C(C)C)C1.CC(C)N1CCCCN(C(C)C)C1.
What is the InChIKey of 1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine)?
The InChIKey is VSTPPEBBXLUYMC-AHWXPYSJSA-N. The full InChI is InChI=1S/C13H27N.4C13H25N.C12H25N.5C12H23N.C12H19N.C12H23N.C12H19N.C11H24N2.3C11H22N2.C11H20N2/c5*1-11(2)13-7-5-9-14(12(3)4)10-6-8-13;7*1-10(2)12-7-5-6-8-13(9-12)11(3)4;2*1-10(2)12-8-6-5-7-9-13(12)11(3)4;5*1-10(2)12-7-5-6-8-13(9-12)11(3)4/h11-13H,5-10H2,1-4H3;7,11-12H,5-6,8-10H2,1-4H3;2*5,9,11-13H,6-8,10H2,1-4H3;5,7,11-13H,6,8-10H2,1-4H3;10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;7,10-11H,5-6,8-9H2,1-4H3;6,8,10-12H,5,7,9H2,1-4H3;5,7,10-12H,6,8-9H2,1-4H3;5-6,10-12H,7-9H2,1-4H3;5-11H,1-4H3;7,9-12H,5-6,8H2,1-4H3;5-11H,1-4H3;10-11H,5-9H2,1-4H3;2*5,7,10-11H,6,8-9H2,1-4H3;5-6,10-11H,7-9H2,1-4H3;5-8,10-11H,9H2,1-4H3/b;13-7+;2*9-5-;7-5-;;;;;;;;;;;;;;.
What are the key properties of 1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine)?
1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine) has a molecular weight of 3516.18 g/mol, XLogP of 57.56, 38 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)azepane;1,2-di(propan-2-yl)azepine;1,3-di(propan-2-yl)azepine;1,5-di(propan-2-yl)azocane;1,3-di(propan-2-yl)-1,3-diazepane;1,3-di(propan-2-yl)-2H-1,3-diazepine;bis(1,3-di(propan-2-yl)-4,5-dihydro-2H-1,3-diazepine);1,3-di(propan-2-yl)-4,7-dihydro-2H-1,3-diazepine;1,2-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;1,3-di(propan-2-yl)-2,3,6,7-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,5-tetrahydroazepine;1,6-di(propan-2-yl)-2,3,4,7-tetrahydroazepine;(5E)-1,5-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,5-di(propan-2-yl)-3,4,5,8-tetrahydro-2H-azocine;bis((7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine) is sourced from PubChem (CID 161389291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).