N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine

C14H27N — CID 107428772

IUPACN-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESC=CCCNC1CCCC(CC(C)C)C1
InChIInChI=1S/C14H27N/c1-4-5-9-15-14-8-6-7-13(11-14)10-12(2)3/h4,12-15H,1,5-11H2,2-3H3
InChIKeyDIKWBOMDARWTAJ-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds6

About N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine

N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428772) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428772
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESC=CCCNC1CCCC(CC(C)C)C1
InChIInChI=1S/C14H27N/c1-4-5-9-15-14-8-6-7-13(11-14)10-12(2)3/h4,12-15H,1,5-11H2,2-3H3
InChIKeyDIKWBOMDARWTAJ-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.76
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 N-but-3-enyl-3-(2-methylpropyl)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

3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
CID 107428771
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-(2-methylpropyl)-N-(2-prop-2-ynylsulfanylethyl)cyclohexan-1-amine
CID 114187361
N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428318
3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107427921
N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428777
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 106043282
3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one
CID 107428755
[2-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclopentyl]methanol
CID 107428559
N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428805
N-(1-cyclopropylpropan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428492

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428772) is N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine is C=CCCNC1CCCC(CC(C)C)C1.
What is the InChIKey of N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is DIKWBOMDARWTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-5-9-15-14-8-6-7-13(11-14)10-12(2)3/h4,12-15H,1,5-11H2,2-3H3.
What are the key properties of N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine?
N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).