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

C193H393N23 — CID 158772588

About 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

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 (PubChem CID 158772588) has the molecular formula C193H393N23 and a molecular weight of 3036.43 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158772588
• Molecular Formula: C193H393N23
• Molecular Weight: 3036.43 g/mol
• Exact Mass: 3034.15
• IUPAC Name: 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
• SMILES: CC(C)C1=CCCCN(C(C)C)C1.CC(C)C1=CCCN(C(C)C)C1.CC(C)C1=CCCN(C(C)C)CC1.CC(C)C1=CCN(C(C)C)C1.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1C=CCN(C(C)C)C1.CC(C)C1CCCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CCCCN(C(C)C)C1.CC(C)N1CCCN(C(C)C)C1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccn(C(C)C)c1
• InChI: InChI=1S/C12H25N.C12H23N.C12H25N.C12H23N.2C11H24N2.C11H23N.C11H21N.C11H23N.2C11H21N.2C10H22N2.C10H21N.C10H19N.C10H17N.C9H20N2.C9H19N/c2*1-10(2)12-6-5-8-13(9-7-12)11(3)4;2*1-10(2)12-7-5-6-8-13(9-12)11(3)4;1-10(2)12-6-5-7-13(9-8-12)11(3)4;1-10(2)12-7-5-6-8-13(9-12)11(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;4*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h10-12H,5-9H2,1-4H3;6,10-11H,5,7-9H2,1-4H3;10-12H,5-9H2,1-4H3;7,10-11H,5-6,8-9H2,1-4H3;2*10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-11H,5-8H2,1-4H3;6,9-10H,5,7-8H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;2*9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;5,8-9H,6-7H2,1-4H3;5-9H,1-4H3;8-9H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
• InChIKey: IQBGYOQRQDJTQQ-UHFFFAOYSA-N
• XLogP: 44.26
• TPSA: 76.21 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 36
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3036.43
LogP ≤ 5	44.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

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)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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)C1=CCCCN(C(C)C)C1.CC(C)C1=CCCN(C(C)C)C1.CC(C)C1=CCCN(C(C)C)CC1.CC(C)C1=CCN(C(C)C)C1.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1C=CCN(C(C)C)C1.CC(C)C1CCCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CCCCN(C(C)C)C1.CC(C)N1CCCN(C(C)C)C1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccn(C(C)C)c1.

What is the InChIKey of 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?

The InChIKey is IQBGYOQRQDJTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C12H23N.C12H25N.C12H23N.2C11H24N2.C11H23N.C11H21N.C11H23N.2C11H21N.2C10H22N2.C10H21N.C10H19N.C10H17N.C9H20N2.C9H19N/c2*1-10(2)12-6-5-8-13(9-7-12)11(3)4;2*1-10(2)12-7-5-6-8-13(9-12)11(3)4;1-10(2)12-6-5-7-13(9-8-12)11(3)4;1-10(2)12-7-5-6-8-13(9-12)11(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;4*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h10-12H,5-9H2,1-4H3;6,10-11H,5,7-9H2,1-4H3;10-12H,5-9H2,1-4H3;7,10-11H,5-6,8-9H2,1-4H3;2*10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-11H,5-8H2,1-4H3;6,9-10H,5,7-8H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;2*9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;5,8-9H,6-7H2,1-4H3;5-9H,1-4H3;8-9H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3.

What are the key properties of 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?

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 has a molecular weight of 3036.43 g/mol, XLogP of 44.26, 36 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158772588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).