1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine

C19H37N — CID 104987009

IUPAC1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1CCC(CCCC)CC1
InChIInChI=1S/C19H37N/c1-4-7-9-11-19(20-16-6-3)18-14-12-17(13-15-18)10-8-5-2/h4,17-20H,1,5-16H2,2-3H3
InChIKeyHMOQPNXSHUBWKZ-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.71
Rot. Bonds11

About 1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine

1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine (PubChem CID 104987009) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine
PubChem CID104987009
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1CCC(CCCC)CC1
InChIInChI=1S/C19H37N/c1-4-7-9-11-19(20-16-6-3)18-14-12-17(13-15-18)10-8-5-2/h4,17-20H,1,5-16H2,2-3H3
InChIKeyHMOQPNXSHUBWKZ-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.71
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 1-(4-butylcyclohexyl)-N-propylhex-5-en-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

1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine
CID 104986932
1-(oxolan-3-yl)-N-propylhex-5-en-1-amine
CID 65329434
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004175
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
1-(3,3-difluorocyclopentyl)-N-propylhex-5-en-1-amine
CID 114216364
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153083
1-(4-methylcyclohexyl)-N-propylpentan-1-amine
CID 63415743
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
4-methyl-N-propyl-1-(4-propylcyclohexyl)pentan-1-amine
CID 65424745
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157
1-(oxan-3-yl)-N-propyloct-7-en-1-amine
CID 107009211

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine (CID 104987009) is 1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)C1CCC(CCCC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine?
The InChIKey is HMOQPNXSHUBWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-4-7-9-11-19(20-16-6-3)18-14-12-17(13-15-18)10-8-5-2/h4,17-20H,1,5-16H2,2-3H3.
What are the key properties of 1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine?
1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.71, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine is sourced from PubChem (CID 104987009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).