N-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine

C11H21N — CID 121368738

IUPACN-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine
SMILESC=C(C)C1CCC(CNC)CC1
InChIInChI=1S/C11H21N/c1-9(2)11-6-4-10(5-7-11)8-12-3/h10-12H,1,4-8H2,2-3H3
InChIKeyDWHAKKAHJKPOHC-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.59
Rot. Bonds3

About N-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine

N-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine (PubChem CID 121368738) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine
PubChem CID121368738
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine
SMILESC=C(C)C1CCC(CNC)CC1
InChIInChI=1S/C11H21N/c1-9(2)11-6-4-10(5-7-11)8-12-3/h10-12H,1,4-8H2,2-3H3
InChIKeyDWHAKKAHJKPOHC-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-1-(4-prop-1-en-2-ylcyclohexyl)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-(4-prop-1-en-2-ylcyclohexyl)methanamine?
The IUPAC name of N-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine (CID 121368738) is N-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine?
The canonical SMILES for N-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine is C=C(C)C1CCC(CNC)CC1.
What is the InChIKey of N-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine?
The InChIKey is DWHAKKAHJKPOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)11-6-4-10(5-7-11)8-12-3/h10-12H,1,4-8H2,2-3H3.
What are the key properties of N-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine?
N-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine has a molecular weight of 167.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-prop-1-en-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 121368738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).