(4-methyl-2-prop-2-enylcyclohexyl)methanamine

C11H21N — CID 81009983

IUPAC(4-methyl-2-prop-2-enylcyclohexyl)methanamine
SMILESC=CCC1CC(C)CCC1CN
InChIInChI=1S/C11H21N/c1-3-4-10-7-9(2)5-6-11(10)8-12/h3,9-11H,1,4-8,12H2,2H3
InChIKeyADVLZAMCWWRGJC-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.57
Rot. Bonds3

About (4-methyl-2-prop-2-enylcyclohexyl)methanamine

(4-methyl-2-prop-2-enylcyclohexyl)methanamine (PubChem CID 81009983) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (4-methyl-2-prop-2-enylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-methyl-2-prop-2-enylcyclohexyl)methanamine
PubChem CID81009983
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(4-methyl-2-prop-2-enylcyclohexyl)methanamine
SMILESC=CCC1CC(C)CCC1CN
InChIInChI=1S/C11H21N/c1-3-4-10-7-9(2)5-6-11(10)8-12/h3,9-11H,1,4-8,12H2,2H3
InChIKeyADVLZAMCWWRGJC-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-methyl-2-prop-2-enylcyclohexyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-prop-2-enylcyclobutyl)methanamine
CID 81011534
(4-methyl-2-propylcyclohexyl)methanamine
CID 81009866
2-methyl-3-prop-2-enylcyclopentan-1-amine
CID 64908752
2-(aminomethyl)-5-methylcyclohexan-1-amine
CID 62070304
(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
CID 107889294
4-prop-2-enylcyclohexane-1,3-diamine
CID 66809827
[2-(aminomethyl)cyclobutyl]methanamine;hydrochloride
CID 175788563
1,3-diethyl-2,5-dimethylcycloheptane
CID 123338571
[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010415
(2,4-dimethylcyclopentyl)methanamine
CID 134314260
[(1S)-2,3-dimethylcyclopentyl]methanamine
CID 129279891
1-methyl-2-prop-2-enylcyclohexane
CID 15643404

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-prop-2-enylcyclohexyl)methanamine?
The IUPAC name of (4-methyl-2-prop-2-enylcyclohexyl)methanamine (CID 81009983) is (4-methyl-2-prop-2-enylcyclohexyl)methanamine.
What is the SMILES notation for (4-methyl-2-prop-2-enylcyclohexyl)methanamine?
The canonical SMILES for (4-methyl-2-prop-2-enylcyclohexyl)methanamine is C=CCC1CC(C)CCC1CN.
What is the InChIKey of (4-methyl-2-prop-2-enylcyclohexyl)methanamine?
The InChIKey is ADVLZAMCWWRGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-10-7-9(2)5-6-11(10)8-12/h3,9-11H,1,4-8,12H2,2H3.
What are the key properties of (4-methyl-2-prop-2-enylcyclohexyl)methanamine?
(4-methyl-2-prop-2-enylcyclohexyl)methanamine has a molecular weight of 167.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-prop-2-enylcyclohexyl)methanamine is sourced from PubChem (CID 81009983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).