3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine

C15H29N — CID 107428771

IUPAC3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
SMILESC/C=C/CCNC1CCCC(CC(C)C)C1
InChIInChI=1S/C15H29N/c1-4-5-6-10-16-15-9-7-8-14(12-15)11-13(2)3/h4-5,13-16H,6-12H2,1-3H3/b5-4+
InChIKeyCWDPHRLNPUZYTK-SNAWJCMRSA-N
MW223.40 g/mol
LogP4.15
Rot. Bonds6

About 3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine

3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine (PubChem CID 107428771) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
PubChem CID107428771
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
SMILESC/C=C/CCNC1CCCC(CC(C)C)C1
InChIInChI=1S/C15H29N/c1-4-5-6-10-16-15-9-7-8-14(12-15)11-13(2)3/h4-5,13-16H,6-12H2,1-3H3/b5-4+
InChIKeyCWDPHRLNPUZYTK-SNAWJCMRSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-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

N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428772
3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
CID 107427844
N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428837
3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one
CID 107428755
3-(2-methylpropyl)-N-(2-prop-2-ynylsulfanylethyl)cyclohexan-1-amine
CID 114187361
N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428318
N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428805
3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107427921
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 106043282
2,2-dimethyl-3-[[3-(2-methylpropyl)cyclohexyl]amino]propanamide
CID 114078633
[2-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclopentyl]methanol
CID 107428559
N-(1-cyclopropylpropan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428492

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine?
The IUPAC name of 3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine (CID 107428771) is 3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine.
What is the SMILES notation for 3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine?
The canonical SMILES for 3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine is C/C=C/CCNC1CCCC(CC(C)C)C1.
What is the InChIKey of 3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine?
The InChIKey is CWDPHRLNPUZYTK-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H29N/c1-4-5-6-10-16-15-9-7-8-14(12-15)11-13(2)3/h4-5,13-16H,6-12H2,1-3H3/b5-4+.
What are the key properties of 3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine?
3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine is sourced from PubChem (CID 107428771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).