(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine

C16H23N — CID 29052043

IUPAC(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
SMILESC[C@H](NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C16H23N/c1-14(16-10-6-3-7-11-16)17-13-12-15-8-4-2-5-9-15/h3,6-8,10-11,14,17H,2,4-5,9,12-13H2,1H3/t14-/m0/s1
InChIKeyUVLYPMYNZLMARP-AWEZNQCLSA-N
MW229.37 g/mol
LogP4.23
Rot. Bonds5

About (1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine

(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine (PubChem CID 29052043) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
PubChem CID29052043
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
SMILESC[C@H](NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C16H23N/c1-14(16-10-6-3-7-11-16)17-13-12-15-8-4-2-5-9-15/h3,6-8,10-11,14,17H,2,4-5,9,12-13H2,1H3/t14-/m0/s1
InChIKeyUVLYPMYNZLMARP-AWEZNQCLSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.23
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

N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43110628
N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106169289
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-nitrophenyl)ethanamine
CID 43078363
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine
CID 43766361
N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
CID 103843122
N-[2-(cyclopenten-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 106169038
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43096041
N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43103195
2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide
CID 42931151

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine (CID 29052043) is (1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine is C[C@H](NCCC1=CCCCC1)c1ccccc1.
What is the InChIKey of (1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine?
The InChIKey is UVLYPMYNZLMARP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N/c1-14(16-10-6-3-7-11-16)17-13-12-15-8-4-2-5-9-15/h3,6-8,10-11,14,17H,2,4-5,9,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine?
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine has a molecular weight of 229.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 29052043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).