1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine

C63H141N15 — CID 159575021

IUPAC1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine
SMILESCC1CCCCCN1.CC1CCCCN1.CC1CCCCNC1.CC1CCCNCC1.CC1CCNCN1.CC1NCCCCN1.CN1CCCCCC1.CN1CCCCCN1.CN1CCCCNC1.CN1CCCNCC1
InChIInChI=1S/4C7H15N.4C6H14N2.C6H13N.C5H12N2/c1-7-3-2-5-8-6-4-7;1-7-4-2-3-5-8-6-7;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-8-7;1-8-5-2-3-7-4-6-8;1-8-5-3-2-4-7-6-8;1-8-6-4-2-3-5-7-8;1-6-7-4-2-3-5-8-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5/h2*7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;3*7H,2-6H2,1H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyMIHHDQWDZCRWEO-UHFFFAOYSA-N
MW1108.93 g/mol
LogP7.97
Rot. Bonds

About 1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine

1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine (PubChem CID 159575021) has the molecular formula C63H141N15 and a molecular weight of 1108.93 g/mol. Its IUPAC name is 1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine.

Molecular Properties

Compound Name1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine
PubChem CID159575021
Molecular FormulaC63H141N15
Molecular Weight1108.93 g/mol
Exact Mass1108.15
IUPAC Name1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine
SMILESCC1CCCCCN1.CC1CCCCN1.CC1CCCCNC1.CC1CCCNCC1.CC1CCNCN1.CC1NCCCCN1.CN1CCCCCC1.CN1CCCCCN1.CN1CCCCNC1.CN1CCCNCC1
InChIInChI=1S/4C7H15N.4C6H14N2.C6H13N.C5H12N2/c1-7-3-2-5-8-6-4-7;1-7-4-2-3-5-8-6-7;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-8-7;1-8-5-2-3-7-4-6-8;1-8-5-3-2-4-7-6-8;1-8-6-4-2-3-5-7-8;1-6-7-4-2-3-5-8-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5/h2*7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;3*7H,2-6H2,1H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyMIHHDQWDZCRWEO-UHFFFAOYSA-N
XLogP7.97
TPSA145.29 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001108.93
LogP ≤ 57.97
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

Analyze 1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

1-Methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine
CID 158162340
1-Methylazepane;2-methylazepane;3-methylazepane;1-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine;3-methylpiperidine;4-methylpiperidine
CID 162228791

Frequently Asked Questions

What is the IUPAC name of 1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine?
The IUPAC name of 1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine (CID 159575021) is 1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine.
What is the SMILES notation for 1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine?
The canonical SMILES for 1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine is CC1CCCCCN1.CC1CCCCN1.CC1CCCCNC1.CC1CCCNCC1.CC1CCNCN1.CC1NCCCCN1.CN1CCCCCC1.CN1CCCCCN1.CN1CCCCNC1.CN1CCCNCC1.
What is the InChIKey of 1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine?
The InChIKey is MIHHDQWDZCRWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H15N.4C6H14N2.C6H13N.C5H12N2/c1-7-3-2-5-8-6-4-7;1-7-4-2-3-5-8-6-7;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-8-7;1-8-5-2-3-7-4-6-8;1-8-5-3-2-4-7-6-8;1-8-6-4-2-3-5-7-8;1-6-7-4-2-3-5-8-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5/h2*7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;3*7H,2-6H2,1H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3;5-7H,2-4H2,1H3.
What are the key properties of 1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine?
1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine has a molecular weight of 1108.93 g/mol, XLogP of 7.97, 0 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazepane;2-methylazepane;3-methylazepane;4-methylazepane;1-methyldiazepane;1-methyl-1,3-diazepane;1-methyl-1,4-diazepane;2-methyl-1,3-diazepane;4-methyl-1,3-diazinane;2-methylpiperidine is sourced from PubChem (CID 159575021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).