3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine

C13H27N3 — CID 58236041

IUPAC3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine
SMILESCCN1CCN(C2CCCC(NC)C2)CC1
InChIInChI=1S/C13H27N3/c1-3-15-7-9-16(10-8-15)13-6-4-5-12(11-13)14-2/h12-14H,3-11H2,1-2H3
InChIKeyMTPFGSMUXOMFLB-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds3

About 3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine

3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine (PubChem CID 58236041) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine
PubChem CID58236041
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine
SMILESCCN1CCN(C2CCCC(NC)C2)CC1
InChIInChI=1S/C13H27N3/c1-3-15-7-9-16(10-8-15)13-6-4-5-12(11-13)14-2/h12-14H,3-11H2,1-2H3
InChIKeyMTPFGSMUXOMFLB-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine 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 3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine (CID 58236041) is 3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine is CCN1CCN(C2CCCC(NC)C2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine?
The InChIKey is MTPFGSMUXOMFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-15-7-9-16(10-8-15)13-6-4-5-12(11-13)14-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine?
3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 58236041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).