3-(cyclohexen-1-yl)-1-phenylpropan-1-amine

C15H21N — CID 173292845

IUPAC3-(cyclohexen-1-yl)-1-phenylpropan-1-amine
SMILESNC(CCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C15H21N/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-7,9-10,15H,1,3-4,8,11-12,16H2
InChIKeyHUQVGVRWCASZJN-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.97
Rot. Bonds4

About 3-(cyclohexen-1-yl)-1-phenylpropan-1-amine

3-(cyclohexen-1-yl)-1-phenylpropan-1-amine (PubChem CID 173292845) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-1-phenylpropan-1-amine
PubChem CID173292845
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-(cyclohexen-1-yl)-1-phenylpropan-1-amine
SMILESNC(CCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C15H21N/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-7,9-10,15H,1,3-4,8,11-12,16H2
InChIKeyHUQVGVRWCASZJN-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopenten-1-yl)-1-phenylethanamine
CID 131037986
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine
CID 22315752
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide
CID 106175165
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide
CID 42931151
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine
CID 43766361
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine
CID 116661307
1-(2-phenylbutyl)cycloheptene
CID 143290808
2-(cyclopenten-1-yl)ethylbenzene
CID 57211956
1-(cyclohexen-1-yl)-4-phenylbutan-1-amine
CID 106657277

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-1-phenylpropan-1-amine?
The IUPAC name of 3-(cyclohexen-1-yl)-1-phenylpropan-1-amine (CID 173292845) is 3-(cyclohexen-1-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(cyclohexen-1-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 3-(cyclohexen-1-yl)-1-phenylpropan-1-amine is NC(CCC1=CCCCC1)c1ccccc1.
What is the InChIKey of 3-(cyclohexen-1-yl)-1-phenylpropan-1-amine?
The InChIKey is HUQVGVRWCASZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-7,9-10,15H,1,3-4,8,11-12,16H2.
What are the key properties of 3-(cyclohexen-1-yl)-1-phenylpropan-1-amine?
3-(cyclohexen-1-yl)-1-phenylpropan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 173292845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).