N-(1-phenylethyl)cyclohex-2-en-1-amine

C14H19N — CID 103846518

IUPACN-(1-phenylethyl)cyclohex-2-en-1-amine
SMILESCC(NC1C=CCCC1)c1ccccc1
InChIInChI=1S/C14H19N/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2,4-6,8-10,12,14-15H,3,7,11H2,1H3
InChIKeyABZIYPTWHRNONE-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.45
Rot. Bonds3

About N-(1-phenylethyl)cyclohex-2-en-1-amine

N-(1-phenylethyl)cyclohex-2-en-1-amine (PubChem CID 103846518) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(1-phenylethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)cyclohex-2-en-1-amine
PubChem CID103846518
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-(1-phenylethyl)cyclohex-2-en-1-amine
SMILESCC(NC1C=CCCC1)c1ccccc1
InChIInChI=1S/C14H19N/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2,4-6,8-10,12,14-15H,3,7,11H2,1H3
InChIKeyABZIYPTWHRNONE-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.45
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

(1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine
CID 122395369
N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine
CID 107907455
N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine
CID 115893628
3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97102694
methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate
CID 115618836
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine
CID 115893699
N-(1-cyclobutylethyl)cyclohex-2-en-1-amine
CID 103903529
N-(1-phenylethyl)cyclododecanamine
CID 60662638
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(1-phenylethyl)cyclohex-2-en-1-amine (CID 103846518) is N-(1-phenylethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(1-phenylethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(1-phenylethyl)cyclohex-2-en-1-amine is CC(NC1C=CCCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)cyclohex-2-en-1-amine?
The InChIKey is ABZIYPTWHRNONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2,4-6,8-10,12,14-15H,3,7,11H2,1H3.
What are the key properties of N-(1-phenylethyl)cyclohex-2-en-1-amine?
N-(1-phenylethyl)cyclohex-2-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 103846518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).