5-cyclohexyl-2-methylpent-1-en-3-amine

C12H23N — CID 105005114

IUPAC5-cyclohexyl-2-methylpent-1-en-3-amine
SMILESC=C(C)C(N)CCC1CCCCC1
InChIInChI=1S/C12H23N/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h11-12H,1,3-9,13H2,2H3
InChIKeyZMHCMVARSTXQPZ-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.25
Rot. Bonds4

About 5-cyclohexyl-2-methylpent-1-en-3-amine

5-cyclohexyl-2-methylpent-1-en-3-amine (PubChem CID 105005114) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 5-cyclohexyl-2-methylpent-1-en-3-amine.

Molecular Properties

Compound Name5-cyclohexyl-2-methylpent-1-en-3-amine
PubChem CID105005114
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name5-cyclohexyl-2-methylpent-1-en-3-amine
SMILESC=C(C)C(N)CCC1CCCCC1
InChIInChI=1S/C12H23N/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h11-12H,1,3-9,13H2,2H3
InChIKeyZMHCMVARSTXQPZ-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-cyclohexyl-2-methylpent-1-en-3-amine 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

3,7-Dimethyloct-7-enylazanium
CID 72200507
2-(Prop-2-en-1-yl)cyclohexan-1-amine
CID 12910255
3,7-Dimethyloct-7-en-1-amine
CID 53497564
trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine
CID 12910256
1-Cyclohexylpent-4-en-1-amine
CID 64298707
(1S)-1-cyclohexylpent-4-en-1-amine
CID 124488146
Menthenamine
CID 129691874
2-(4-Methylidenecyclohexyl)ethanamine
CID 89029468
(3R)-2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89073715
2-Methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89154096
1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine
CID 118401831
4-(4,4-Difluorohex-1-en-2-yl)cyclohexan-1-amine
CID 134430016

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-methylpent-1-en-3-amine?
The IUPAC name of 5-cyclohexyl-2-methylpent-1-en-3-amine (CID 105005114) is 5-cyclohexyl-2-methylpent-1-en-3-amine.
What is the SMILES notation for 5-cyclohexyl-2-methylpent-1-en-3-amine?
The canonical SMILES for 5-cyclohexyl-2-methylpent-1-en-3-amine is C=C(C)C(N)CCC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-2-methylpent-1-en-3-amine?
The InChIKey is ZMHCMVARSTXQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h11-12H,1,3-9,13H2,2H3.
What are the key properties of 5-cyclohexyl-2-methylpent-1-en-3-amine?
5-cyclohexyl-2-methylpent-1-en-3-amine has a molecular weight of 181.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-methylpent-1-en-3-amine is sourced from PubChem (CID 105005114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).