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

C71H161N19 — CID 158162340

IUPAC1-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
SMILESCC1CCCCCN1.CC1CCCCN1.CC1CCCCNC1.CC1CCCNCC1.CC1CCNCN1.CC1NCCCN1.CN1CCCCCC1.CN1CCCCCN1.CN1CCCCN1.CN1CCCCNC1.CN1CCCNC1.CN1CCNCC1
InChIInChI=1S/4C7H15N.2C6H14N2.C6H13N.5C5H12N2/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;1-8-5-3-2-4-7-6-8;1-8-6-4-2-3-5-7-8;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-5-2-3-6-4-7-5;1-7-4-2-3-6-5-7;1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5/h2*7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;2*7H,2-6H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3;5-7H,2-4H2,1H3;2*6H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyFWKQLYMMYYKQOF-UHFFFAOYSA-N
MW1281.20 g/mol
LogP7.27
Rot. Bonds

About 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

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 (PubChem CID 158162340) has the molecular formula C71H161N19 and a molecular weight of 1281.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158162340
Molecular FormulaC71H161N19
Molecular Weight1281.20 g/mol
Exact Mass1280.32
IUPAC Name1-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
SMILESCC1CCCCCN1.CC1CCCCN1.CC1CCCCNC1.CC1CCCNCC1.CC1CCNCN1.CC1NCCCN1.CN1CCCCCC1.CN1CCCCCN1.CN1CCCCN1.CN1CCCCNC1.CN1CCCNC1.CN1CCNCC1
InChIInChI=1S/4C7H15N.2C6H14N2.C6H13N.5C5H12N2/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;1-8-5-3-2-4-7-6-8;1-8-6-4-2-3-5-7-8;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-5-2-3-6-4-7-5;1-7-4-2-3-6-5-7;1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5/h2*7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;2*7H,2-6H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3;5-7H,2-4H2,1H3;2*6H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyFWKQLYMMYYKQOF-UHFFFAOYSA-N
XLogP7.27
TPSA175.83 Ų
H-Bond Donors13
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001281.20
LogP ≤ 57.27
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperazin-1-amine;2-piperazin-1-ylethanamine;piperazin-1-ylmethanamine;3-piperazin-1-ylpropan-1-amine;piperidin-4-amine;2-piperidin-4-ylethanamine;piperidin-4-ylmethanamine;3-piperidin-4-ylpropan-1-amine
CID 158262900
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
1,4-Diazatricyclo[4.3.1.13,8]undecane;ethane;bis(4-ethyl-1,4-diazatricyclo[4.3.1.13,8]undecane);propane
CID 159701543
1,3-Dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine
CID 160693849
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-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCCCCN1.CC1CCCCN1.CC1CCCCNC1.CC1CCCNCC1.CC1CCNCN1.CC1NCCCN1.CN1CCCCCC1.CN1CCCCCN1.CN1CCCCN1.CN1CCCCNC1.CN1CCCNC1.CN1CCNCC1.
What is the InChIKey of 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?
The InChIKey is FWKQLYMMYYKQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H15N.2C6H14N2.C6H13N.5C5H12N2/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;1-8-5-3-2-4-7-6-8;1-8-6-4-2-3-5-7-8;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-5-2-3-6-4-7-5;1-7-4-2-3-6-5-7;1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5/h2*7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;2*7H,2-6H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3;5-7H,2-4H2,1H3;2*6H,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-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine?
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 has a molecular weight of 1281.20 g/mol, XLogP of 7.27, 0 rotatable bonds, 13 hydrogen bond donors, and 19 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-methyldiazinane;1-methyl-1,3-diazinane;2-methyl-1,3-diazinane;4-methyl-1,3-diazinane;1-methylpiperazine;2-methylpiperidine is sourced from PubChem (CID 158162340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).