1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine

C13H27N3 — CID 79464936

IUPAC1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine
SMILESCN1CCC(N(C)C2CCCC(N)C2)CC1
InChIInChI=1S/C13H27N3/c1-15-8-6-12(7-9-15)16(2)13-5-3-4-11(14)10-13/h11-13H,3-10,14H2,1-2H3
InChIKeyIAPADQFEXBODHM-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.28
Rot. Bonds2

About 1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine

1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine (PubChem CID 79464936) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine
PubChem CID79464936
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine
SMILESCN1CCC(N(C)C2CCCC(N)C2)CC1
InChIInChI=1S/C13H27N3/c1-15-8-6-12(7-9-15)16(2)13-5-3-4-11(14)10-13/h11-13H,3-10,14H2,1-2H3
InChIKeyIAPADQFEXBODHM-UHFFFAOYSA-N
XLogP1.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine (CID 79464936) is 1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine is CN1CCC(N(C)C2CCCC(N)C2)CC1.
What is the InChIKey of 1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine?
The InChIKey is IAPADQFEXBODHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15-8-6-12(7-9-15)16(2)13-5-3-4-11(14)10-13/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine?
1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79464936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).