1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine

C105H219N17 — CID 160542432

About 1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine

1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine (PubChem CID 160542432) has the molecular formula C105H219N17 and a molecular weight of 1720.03 g/mol. Its IUPAC name is 1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine.

Molecular Properties

• Compound Name: 1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
• PubChem CID: 160542432
• Molecular Formula: C105H219N17
• Molecular Weight: 1720.03 g/mol
• Exact Mass: 1718.77
• IUPAC Name: 1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
• SMILES: C/C1=C/CCCN(C)CC1.C/C1=C/CCN(C)CCC1.C/C1=C/CN(C)CCCC1.CC.CC.CC1=CCCN(C)CC1.CC1=CCN(C)CCC1.CC1CCCN(C)CC1.CC1CCCN(C)CCC1.CN1CC=CCC1.CN1CCCCC1.CN1CCCCN(C)CC1.CN1CCCN(C)CC1.CN1CCCN(C)CCC1.CN1CCN(C)CC1
• InChI: InChI=1S/C9H19N.3C9H17N.2C8H18N2.C8H17N.2C8H15N.C7H16N2.C6H14N2.C6H13N.C6H11N.2C2H6/c2*1-9-5-3-7-10(2)8-4-6-9;2*1-9-5-3-4-7-10(2)8-6-9;1-9-5-3-7-10(2)8-4-6-9;1-9-5-3-4-6-10(2)8-7-9;3*1-8-4-3-6-9(2)7-5-8;1-8-4-3-5-9(2)7-6-8;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;2*1-2/h9H,3-8H2,1-2H3;5H,3-4,6-8H2,1-2H3;6H,3-5,7-8H2,1-2H3;5H,3-4,6-8H2,1-2H3;2*3-8H2,1-2H3;8H,3-7H2,1-2H3;5H,3-4,6-7H2,1-2H3;4H,3,5-7H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2-3H,4-6H2,1H3;2*1-2H3/b;9-5-;9-6-;9-5-
• InChIKey: QWYSCCRCTQUSAG-GTBQZJIGSA-N
• XLogP: 18.77
• TPSA: 55.08 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1720.03
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?

The IUPAC name of 1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine (CID 160542432) is 1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine.

What is the SMILES notation for 1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?

The canonical SMILES for 1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine is C/C1=C/CCCN(C)CC1.C/C1=C/CCN(C)CCC1.C/C1=C/CN(C)CCCC1.CC.CC.CC1=CCCN(C)CC1.CC1=CCN(C)CCC1.CC1CCCN(C)CC1.CC1CCCN(C)CCC1.CN1CC=CCC1.CN1CCCCC1.CN1CCCCN(C)CC1.CN1CCCN(C)CC1.CN1CCCN(C)CCC1.CN1CCN(C)CC1.

What is the InChIKey of 1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?

The InChIKey is QWYSCCRCTQUSAG-GTBQZJIGSA-N. The full InChI is InChI=1S/C9H19N.3C9H17N.2C8H18N2.C8H17N.2C8H15N.C7H16N2.C6H14N2.C6H13N.C6H11N.2C2H6/c2*1-9-5-3-7-10(2)8-4-6-9;2*1-9-5-3-4-7-10(2)8-6-9;1-9-5-3-7-10(2)8-4-6-9;1-9-5-3-4-6-10(2)8-7-9;3*1-8-4-3-6-9(2)7-5-8;1-8-4-3-5-9(2)7-6-8;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;2*1-2/h9H,3-8H2,1-2H3;5H,3-4,6-8H2,1-2H3;6H,3-5,7-8H2,1-2H3;5H,3-4,6-8H2,1-2H3;2*3-8H2,1-2H3;8H,3-7H2,1-2H3;5H,3-4,6-7H2,1-2H3;4H,3,5-7H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2-3H,4-6H2,1H3;2*1-2H3/b;9-5-;9-6-;9-5-;;;;;;;;;;;.

What are the key properties of 1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?

1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine has a molecular weight of 1720.03 g/mol, XLogP of 18.77, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylazepane;1,5-dimethylazocane;1,4-dimethyl-1,4-diazepane;1,4-dimethyl-1,4-diazocane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperazine;1,4-dimethyl-2,3,6,7-tetrahydroazepine;1,5-dimethyl-2,3,4,7-tetrahydroazepine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(5Z)-1,6-dimethyl-3,4,7,8-tetrahydro-2H-azocine;(6Z)-1,6-dimethyl-3,4,5,8-tetrahydro-2H-azocine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine is sourced from PubChem (CID 160542432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).