2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine

C16H33N3 — CID 64775564

IUPAC2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCCN2CCN(C)CC2)C1C
InChIInChI=1S/C16H33N3/c1-14-6-4-7-16(15(14)2)17-8-5-9-19-12-10-18(3)11-13-19/h14-17H,4-13H2,1-3H3
InChIKeyKUSJZPLWAUGINM-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds5

About 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine

2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine (PubChem CID 64775564) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
PubChem CID64775564
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCCN2CCN(C)CC2)C1C
InChIInChI=1S/C16H33N3/c1-14-6-4-7-16(15(14)2)17-8-5-9-19-12-10-18(3)11-13-19/h14-17H,4-13H2,1-3H3
InChIKeyKUSJZPLWAUGINM-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-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 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine (CID 64775564) is 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine is CC1CCCC(NCCCN2CCN(C)CC2)C1C.
What is the InChIKey of 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine?
The InChIKey is KUSJZPLWAUGINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14-6-4-7-16(15(14)2)17-8-5-9-19-12-10-18(3)11-13-19/h14-17H,4-13H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine?
2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 64775564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).