N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine

C15H29N — CID 81029231

IUPACN-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine
SMILESC=C(C)CC1CC(CCC)CCC1CNC
InChIInChI=1S/C15H29N/c1-5-6-13-7-8-14(11-16-4)15(10-13)9-12(2)3/h13-16H,2,5-11H2,1,3-4H3
InChIKeyMOQXBDVTGOKAPU-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.00
Rot. Bonds6

About N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine

N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine (PubChem CID 81029231) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine
PubChem CID81029231
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine
SMILESC=C(C)CC1CC(CCC)CCC1CNC
InChIInChI=1S/C15H29N/c1-5-6-13-7-8-14(11-16-4)15(10-13)9-12(2)3/h13-16H,2,5-11H2,1,3-4H3
InChIKeyMOQXBDVTGOKAPU-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]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 N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine (CID 81029231) is N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine is C=C(C)CC1CC(CCC)CCC1CNC.
What is the InChIKey of N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine?
The InChIKey is MOQXBDVTGOKAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-5-6-13-7-8-14(11-16-4)15(10-13)9-12(2)3/h13-16H,2,5-11H2,1,3-4H3.
What are the key properties of N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine?
N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine has a molecular weight of 223.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 81029231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).