3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine

C17H35N3 — CID 64724439

IUPAC3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
SMILESCC1CC(C)CC(NCC(C)(C)N2CCN(C)CC2)C1
InChIInChI=1S/C17H35N3/c1-14-10-15(2)12-16(11-14)18-13-17(3,4)20-8-6-19(5)7-9-20/h14-16,18H,6-13H2,1-5H3
InChIKeyONGCJZAFNVNFCD-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.43
Rot. Bonds4

About 3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine

3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine (PubChem CID 64724439) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
PubChem CID64724439
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
SMILESCC1CC(C)CC(NCC(C)(C)N2CCN(C)CC2)C1
InChIInChI=1S/C17H35N3/c1-14-10-15(2)12-16(11-14)18-13-17(3,4)20-8-6-19(5)7-9-20/h14-16,18H,6-13H2,1-5H3
InChIKeyONGCJZAFNVNFCD-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-N-[2-methyl-2-(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 3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine (CID 64724439) is 3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine is CC1CC(C)CC(NCC(C)(C)N2CCN(C)CC2)C1.
What is the InChIKey of 3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine?
The InChIKey is ONGCJZAFNVNFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14-10-15(2)12-16(11-14)18-13-17(3,4)20-8-6-19(5)7-9-20/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine?
3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 64724439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).