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

C128H249N15 — CID 159909857

About 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

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 (PubChem CID 159909857) has the molecular formula C128H249N15 and a molecular weight of 1998.50 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159909857
• Molecular Formula: C128H249N15
• Molecular Weight: 1998.50 g/mol
• Exact Mass: 1996.99
• IUPAC Name: 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
• SMILES: CC(C)C1=CC=CN(C(C)C)C=C1.CC(C)C1=CCCCCN1C(C)C.CC(C)C1=CCCN(C(C)C)CC1.CC(C)C1=CCN(C(C)C)CCC1.CC(C)C1C=CCN(C(C)C)CC1.CC(C)C1CC=CN(C(C)C)CC1.CC(C)C1CCCCCN1C(C)C.CC(C)N1C=CCN(C(C)C)CC1.CC(C)N1C=CCN(C(C)C)CC1.CC(C)N1C=CN(C(C)C)CCC1.CC(C)N1CCCN(C(C)C)CC1
• InChI: InChI=1S/4C12H23N.C12H19N.C12H25N.C12H23N.C11H24N2.3C11H22N2/c5*1-10(2)12-6-5-8-13(9-7-12)11(3)4;2*1-10(2)12-8-6-5-7-9-13(12)11(3)4;4*1-10(2)12-6-5-7-13(9-8-12)11(3)4/h7,10-11H,5-6,8-9H2,1-4H3;6,10-11H,5,7-9H2,1-4H3;5,8,10-12H,6-7,9H2,1-4H3;5-6,10-12H,7-9H2,1-4H3;5-11H,1-4H3;10-12H,5-9H2,1-4H3;8,10-11H,5-7,9H2,1-4H3;10-11H,5-9H2,1-4H3;8-11H,5-7H2,1-4H3;2*5-6,10-11H,7-9H2,1-4H3
• InChIKey: NXAXFSWLGOXNPM-UHFFFAOYSA-N
• XLogP: 30.35
• TPSA: 48.60 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1998.50
LogP ≤ 5	30.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)C1=CC=CN(C(C)C)C=C1.CC(C)C1=CCCCCN1C(C)C.CC(C)C1=CCCN(C(C)C)CC1.CC(C)C1=CCN(C(C)C)CCC1.CC(C)C1C=CCN(C(C)C)CC1.CC(C)C1CC=CN(C(C)C)CC1.CC(C)C1CCCCCN1C(C)C.CC(C)N1C=CCN(C(C)C)CC1.CC(C)N1C=CCN(C(C)C)CC1.CC(C)N1C=CN(C(C)C)CCC1.CC(C)N1CCCN(C(C)C)CC1.

What is the InChIKey of 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?

The InChIKey is NXAXFSWLGOXNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H23N.C12H19N.C12H25N.C12H23N.C11H24N2.3C11H22N2/c5*1-10(2)12-6-5-8-13(9-7-12)11(3)4;2*1-10(2)12-8-6-5-7-9-13(12)11(3)4;4*1-10(2)12-6-5-7-13(9-8-12)11(3)4/h7,10-11H,5-6,8-9H2,1-4H3;6,10-11H,5,7-9H2,1-4H3;5,8,10-12H,6-7,9H2,1-4H3;5-6,10-12H,7-9H2,1-4H3;5-11H,1-4H3;10-12H,5-9H2,1-4H3;8,10-11H,5-7,9H2,1-4H3;10-11H,5-9H2,1-4H3;8-11H,5-7H2,1-4H3;2*5-6,10-11H,7-9H2,1-4H3.

What are the key properties of 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?

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 has a molecular weight of 1998.50 g/mol, XLogP of 30.35, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159909857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).