(1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine

C15H31N3 — CID 79658674

IUPAC(1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine
SMILESCCC1CCCC(C(N)C2CN(C)CCN2C)C1
InChIInChI=1S/C15H31N3/c1-4-12-6-5-7-13(10-12)15(16)14-11-17(2)8-9-18(14)3/h12-15H,4-11,16H2,1-3H3
InChIKeyHYPBFYNFKHRYLL-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.78
Rot. Bonds3

About (1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine

(1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine (PubChem CID 79658674) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine
PubChem CID79658674
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name(1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine
SMILESCCC1CCCC(C(N)C2CN(C)CCN2C)C1
InChIInChI=1S/C15H31N3/c1-4-12-6-5-7-13(10-12)15(16)14-11-17(2)8-9-18(14)3/h12-15H,4-11,16H2,1-3H3
InChIKeyHYPBFYNFKHRYLL-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine 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 (1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine (CID 79658674) is (1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine is CCC1CCCC(C(N)C2CN(C)CCN2C)C1.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine?
The InChIKey is HYPBFYNFKHRYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-12-6-5-7-13(10-12)15(16)14-11-17(2)8-9-18(14)3/h12-15H,4-11,16H2,1-3H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine?
(1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine has a molecular weight of 253.43 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine is sourced from PubChem (CID 79658674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).