1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine

C13H27N3 — CID 83011945

IUPAC1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine
SMILESNCC(NN1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H27N3/c14-11-13(12-7-3-1-4-8-12)15-16-9-5-2-6-10-16/h12-13,15H,1-11,14H2
InChIKeyMLBAXJMOTPQAEZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.88
Rot. Bonds4

About 1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine

1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine (PubChem CID 83011945) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine
PubChem CID83011945
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine
SMILESNCC(NN1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H27N3/c14-11-13(12-7-3-1-4-8-12)15-16-9-5-2-6-10-16/h12-13,15H,1-11,14H2
InChIKeyMLBAXJMOTPQAEZ-UHFFFAOYSA-N
XLogP1.88
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-N-piperidin-1-ylethane-1,2-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-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine (CID 83011945) is 1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine is NCC(NN1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine?
The InChIKey is MLBAXJMOTPQAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c14-11-13(12-7-3-1-4-8-12)15-16-9-5-2-6-10-16/h12-13,15H,1-11,14H2.
What are the key properties of 1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine?
1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-piperidin-1-ylethane-1,2-diamine is sourced from PubChem (CID 83011945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).