N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine

C16H23N — CID 43110950

IUPACN-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
SMILESC=CCNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H23N/c1-2-13-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-3,5-6,9-10,15-17H,1,4,7-8,11-13H2
InChIKeyPQKYQVGAVTXHGX-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.08
Rot. Bonds5

About N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine

N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine (PubChem CID 43110950) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
PubChem CID43110950
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
SMILESC=CCNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H23N/c1-2-13-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-3,5-6,9-10,15-17H,1,4,7-8,11-13H2
InChIKeyPQKYQVGAVTXHGX-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
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-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 43099675
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759566
N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289803
4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol
CID 103917609
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
3-cyclohexyl-3-hydroxy-2-phenyl-N-prop-2-enylpropanamide
CID 11709033
4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516535

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine (CID 43110950) is N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine is C=CCNC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine?
The InChIKey is PQKYQVGAVTXHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-13-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-3,5-6,9-10,15-17H,1,4,7-8,11-13H2.
What are the key properties of N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine?
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 43110950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).