ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine

C75H143N5O — CID 158710178

IUPACethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCCCC1.CC(C)N1CCCCc2ccccc21.CC(C)N1CCCOc2ccccc21.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21
InChIInChI=1S/C13H19N.C12H17NO.C12H17N.C11H15N.C8H17N.9C2H6.CH4/c1-11(2)14-10-6-5-8-12-7-3-4-9-13(12)14;1-10(2)13-8-5-9-14-12-7-4-3-6-11(12)13;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)9-6-4-3-5-7-9;9*1-2;/h3-4,7,9,11H,5-6,8,10H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,9H,7-8H2,1-2H3;8H,3-7H2,1-2H3;9*1-2H3;1H4
InChIKeyIIPRCLSNHFZZRG-UHFFFAOYSA-N
MW1131.00 g/mol
LogP22.98
Rot. Bonds5

About ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine

ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine (PubChem CID 158710178) has the molecular formula C75H143N5O and a molecular weight of 1131.00 g/mol. Its IUPAC name is ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine.

Molecular Properties

Compound Nameethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine
PubChem CID158710178
Molecular FormulaC75H143N5O
Molecular Weight1131.00 g/mol
Exact Mass1130.13
IUPAC Nameethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCCCC1.CC(C)N1CCCCc2ccccc21.CC(C)N1CCCOc2ccccc21.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21
InChIInChI=1S/C13H19N.C12H17NO.C12H17N.C11H15N.C8H17N.9C2H6.CH4/c1-11(2)14-10-6-5-8-12-7-3-4-9-13(12)14;1-10(2)13-8-5-9-14-12-7-4-3-6-11(12)13;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)9-6-4-3-5-7-9;9*1-2;/h3-4,7,9,11H,5-6,8,10H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,9H,7-8H2,1-2H3;8H,3-7H2,1-2H3;9*1-2H3;1H4
InChIKeyIIPRCLSNHFZZRG-UHFFFAOYSA-N
XLogP22.98
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.00
LogP ≤ 522.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine?
The IUPAC name of ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine (CID 158710178) is ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine.
What is the SMILES notation for ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine?
The canonical SMILES for ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCCCC1.CC(C)N1CCCCc2ccccc21.CC(C)N1CCCOc2ccccc21.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21.
What is the InChIKey of ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine?
The InChIKey is IIPRCLSNHFZZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H17NO.C12H17N.C11H15N.C8H17N.9C2H6.CH4/c1-11(2)14-10-6-5-8-12-7-3-4-9-13(12)14;1-10(2)13-8-5-9-14-12-7-4-3-6-11(12)13;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)9-6-4-3-5-7-9;9*1-2;/h3-4,7,9,11H,5-6,8,10H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,9H,7-8H2,1-2H3;8H,3-7H2,1-2H3;9*1-2H3;1H4.
What are the key properties of ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine?
ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine has a molecular weight of 1131.00 g/mol, XLogP of 22.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine is sourced from PubChem (CID 158710178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).