3-(cyclohexen-1-yl)-N-propylpropan-1-amine

C12H23N — CID 144585159

IUPAC3-(cyclohexen-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCC1=CCCCC1
InChIInChI=1S/C12H23N/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h7,13H,2-6,8-11H2,1H3
InChIKeyHFBRHUMCDXEWIL-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds6

About 3-(cyclohexen-1-yl)-N-propylpropan-1-amine

3-(cyclohexen-1-yl)-N-propylpropan-1-amine (PubChem CID 144585159) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-N-propylpropan-1-amine
PubChem CID144585159
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-(cyclohexen-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCC1=CCCCC1
InChIInChI=1S/C12H23N/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h7,13H,2-6,8-11H2,1H3
InChIKeyHFBRHUMCDXEWIL-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
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'}

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Related Compounds

2-(1-Cyclohexen-1-YL)-N-(cyclopropylmethyl)-1-ethanamine hydrochloride
CID 11948802
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
Dioleylamine
CID 11214516
N'-[(6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]dodecane-1,12-diamine
CID 156009876
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
(4E,8E,16E)-N-(6-aminohexyl)-N',4,8,13,17-pentamethylicosa-4,8,12,16-tetraene-1,20-diamine
CID 44363314
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
(2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine
CID 1787860
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
N-(Octadec-9-en-1-yl)octadec-9-en-1-amine
CID 162408
1-(Cyclohex-1-en-1-yl)propan-2-amine
CID 231262
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(cyclohexen-1-yl)-N-propylpropan-1-amine (CID 144585159) is 3-(cyclohexen-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(cyclohexen-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(cyclohexen-1-yl)-N-propylpropan-1-amine is CCCNCCCC1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-N-propylpropan-1-amine?
The InChIKey is HFBRHUMCDXEWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h7,13H,2-6,8-11H2,1H3.
What are the key properties of 3-(cyclohexen-1-yl)-N-propylpropan-1-amine?
3-(cyclohexen-1-yl)-N-propylpropan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 144585159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).