4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine

C18H37N3 — CID 107910875

IUPAC4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)CCC2CCCCN2C)CC1
InChIInChI=1S/C18H37N3/c1-4-13-19-16-8-10-18(11-9-16)21(3)15-12-17-7-5-6-14-20(17)2/h16-19H,4-15H2,1-3H3
InChIKeyYTVUWUJHCXCGAQ-UHFFFAOYSA-N
MW295.52 g/mol
LogP3.10
Rot. Bonds7

About 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine

4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine (PubChem CID 107910875) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine
PubChem CID107910875
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)CCC2CCCCN2C)CC1
InChIInChI=1S/C18H37N3/c1-4-13-19-16-8-10-18(11-9-16)21(3)15-12-17-7-5-6-14-20(17)2/h16-19H,4-15H2,1-3H3
InChIKeyYTVUWUJHCXCGAQ-UHFFFAOYSA-N
XLogP3.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-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 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine (CID 107910875) is 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine is CCCNC1CCC(N(C)CCC2CCCCN2C)CC1.
What is the InChIKey of 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is YTVUWUJHCXCGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-13-19-16-8-10-18(11-9-16)21(3)15-12-17-7-5-6-14-20(17)2/h16-19H,4-15H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine?
4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 295.52 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 107910875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).