1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane

C106H226N8 — CID 159304469

About 1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane

1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane (PubChem CID 159304469) has the molecular formula C106H226N8 and a molecular weight of 1613.03 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane
• PubChem CID: 159304469
• Molecular Formula: C106H226N8
• Molecular Weight: 1613.03 g/mol
• Exact Mass: 1611.79
• IUPAC Name: 1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCN(CC(C)(C)C)CC1.CC(C)C1CCN(CC(C)(C)C)CC1.CC(C)CN1CCCN(C(C)(C)C)CC1.CC(C)N1CC=C(CC(C)(C)C)CC1.CC(C)N1CCC(CC(C)(C)C)CC1.CC(C)N1CCN(CC(C)(C)C)CC1.CC(C)c1ccc(CC(C)(C)C)cc1
• InChI: InChI=1S/C14H22.C13H28N2.C13H27N.C13H25N.C13H27N.C13H25N.C12H26N2.7C2H6.CH4/c1-11(2)13-8-6-12(7-9-13)10-14(3,4)5;1-12(2)11-14-7-6-8-15(10-9-14)13(3,4)5;2*1-11(2)12-6-8-14(9-7-12)10-13(3,4)5;2*1-11(2)14-8-6-12(7-9-14)10-13(3,4)5;1-11(2)14-8-6-13(7-9-14)10-12(3,4)5;7*1-2;/h6-9,11H,10H2,1-5H3;12H,6-11H2,1-5H3;11-12H,6-10H2,1-5H3;6,11H,7-10H2,1-5H3;11-12H,6-10H2,1-5H3;6,11H,7-10H2,1-5H3;11H,6-10H2,1-5H3;7*1-2H3;1H4
• InChIKey: LBSYJHPVOZOFQR-UHFFFAOYSA-N
• XLogP: 30.45
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1613.03
LogP ≤ 5	30.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane?

The IUPAC name of 1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane (CID 159304469) is 1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane.

What is the SMILES notation for 1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane?

The canonical SMILES for 1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane is C.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCN(CC(C)(C)C)CC1.CC(C)C1CCN(CC(C)(C)C)CC1.CC(C)CN1CCCN(C(C)(C)C)CC1.CC(C)N1CC=C(CC(C)(C)C)CC1.CC(C)N1CCC(CC(C)(C)C)CC1.CC(C)N1CCN(CC(C)(C)C)CC1.CC(C)c1ccc(CC(C)(C)C)cc1.

What is the InChIKey of 1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane?

The InChIKey is LBSYJHPVOZOFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C13H28N2.C13H27N.C13H25N.C13H27N.C13H25N.C12H26N2.7C2H6.CH4/c1-11(2)13-8-6-12(7-9-13)10-14(3,4)5;1-12(2)11-14-7-6-8-15(10-9-14)13(3,4)5;2*1-11(2)12-6-8-14(9-7-12)10-13(3,4)5;2*1-11(2)14-8-6-12(7-9-14)10-13(3,4)5;1-11(2)14-8-6-13(7-9-14)10-12(3,4)5;7*1-2;/h6-9,11H,10H2,1-5H3;12H,6-11H2,1-5H3;11-12H,6-10H2,1-5H3;6,11H,7-10H2,1-5H3;11-12H,6-10H2,1-5H3;6,11H,7-10H2,1-5H3;11H,6-10H2,1-5H3;7*1-2H3;1H4.

What are the key properties of 1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane?

1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane has a molecular weight of 1613.03 g/mol, XLogP of 30.45, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(2-methylpropyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;1-(2,2-dimethylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-(2,2-dimethylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperazine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine;ethane;methane is sourced from PubChem (CID 159304469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).