1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine

C20H31N — CID 116662072

IUPAC1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine
SMILESCCCNC(CCCc1ccccc1)CC1=CCCCC1
InChIInChI=1S/C20H31N/c1-2-16-21-20(17-19-12-7-4-8-13-19)15-9-14-18-10-5-3-6-11-18/h3,5-6,10-12,20-21H,2,4,7-9,13-17H2,1H3
InChIKeyNNCDEEJGQJMSNW-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.27
Rot. Bonds9

About 1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine

1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine (PubChem CID 116662072) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine
PubChem CID116662072
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine
SMILESCCCNC(CCCc1ccccc1)CC1=CCCCC1
InChIInChI=1S/C20H31N/c1-2-16-21-20(17-19-12-7-4-8-13-19)15-9-14-18-10-5-3-6-11-18/h3,5-6,10-12,20-21H,2,4,7-9,13-17H2,1H3
InChIKeyNNCDEEJGQJMSNW-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-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-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine
CID 116661527
1-(cyclohexen-1-yl)-N-propylhept-6-en-2-amine
CID 116662062
1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine
CID 114475925
1-(cyclohexen-1-yl)-N-propylnon-8-en-2-amine
CID 107009676
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
CID 116661766
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
CID 116662039
1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 116662096
1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
CID 116662141
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055
[1-(cyclohexen-1-yl)-3-phenylpropan-2-yl]hydrazine
CID 105269855
1-(3-bromo-4-fluorophenyl)-3-(cyclohexen-1-yl)-N-propylpropan-2-amine
CID 116662032

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine (CID 116662072) is 1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine is CCCNC(CCCc1ccccc1)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine?
The InChIKey is NNCDEEJGQJMSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-16-21-20(17-19-12-7-4-8-13-19)15-9-14-18-10-5-3-6-11-18/h3,5-6,10-12,20-21H,2,4,7-9,13-17H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine?
1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine has a molecular weight of 285.47 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine is sourced from PubChem (CID 116662072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).