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)

C168H330N22 — CID 157193486

About 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)

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) (PubChem CID 157193486) has the molecular formula C168H330N22 and a molecular weight of 2658.64 g/mol. Its IUPAC name is 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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 157193486
• Molecular Formula: C168H330N22
• Molecular Weight: 2658.64 g/mol
• Exact Mass: 2656.65
• IUPAC Name: 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)
• SMILES: CC(C)/C1=C/CCN(C(C)C)CCC1.CC(C)C1/C=C\CN(C(C)C)CCC1.CC(C)C1=CN(C(C)C)C=CC=C1.CC(C)C1C/C=C\N(C(C)C)CCC1.CC(C)C1C/C=C\N(C(C)C)CCC1.CC(C)C1CCCN(C(C)C)CCC1.CC(C)N1/C=C\CN(C(C)C)CCC1.CC(C)N1/C=C\CN(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.CC(C)N1CCCN(C(C)C)CCC1
• InChI: InChI=1S/C13H27N.4C13H25N.C12H26N2.2C12H24N2.C12H19N.C11H24N2.3C11H22N2.C11H20N2/c8*1-11(2)13-7-5-9-14(12(3)4)10-6-8-13;6*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;11-12H,5-10H2,1-4H3;2*5,7,11-12H,6,8-10H2,1-4H3;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-;;2*7-5-
• InChIKey: APYWRUJOHFLCCR-HMVZGFNWSA-N
• XLogP: 38.89
• TPSA: 71.28 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2658.64
LogP ≤ 5	38.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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)?

The IUPAC name of 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) is 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).

What is the SMILES notation for 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)?

The canonical SMILES for 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) is CC(C)/C1=C/CCN(C(C)C)CCC1.CC(C)C1/C=C\CN(C(C)C)CCC1.CC(C)C1=CN(C(C)C)C=CC=C1.CC(C)C1C/C=C\N(C(C)C)CCC1.CC(C)C1C/C=C\N(C(C)C)CCC1.CC(C)C1CCCN(C(C)C)CCC1.CC(C)N1/C=C\CN(C(C)C)CCC1.CC(C)N1/C=C\CN(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.CC(C)N1CCCN(C(C)C)CCC1.

What is the InChIKey of 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)?

The InChIKey is APYWRUJOHFLCCR-HMVZGFNWSA-N. The full InChI is InChI=1S/C13H27N.4C13H25N.C12H26N2.2C12H24N2.C12H19N.C11H24N2.3C11H22N2.C11H20N2/c8*1-11(2)13-7-5-9-14(12(3)4)10-6-8-13;6*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;11-12H,5-10H2,1-4H3;2*5,7,11-12H,6,8-10H2,1-4H3;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-;;2*7-5-;;;;;;.

What are the key properties of 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)?

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) has a molecular weight of 2658.64 g/mol, XLogP of 38.89, 28 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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) is sourced from PubChem (CID 157193486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).