(E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine

C17H25N — CID 73334860

IUPAC(E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
SMILESC[C@@H](NC/C=C/C1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25N/c1-15(17-12-6-3-7-13-17)18-14-8-11-16-9-4-2-5-10-16/h3,6-8,11-13,15-16,18H,2,4-5,9-10,14H2,1H3/b11-8+/t15-/m1/s1
InChIKeyKTDCUHLZWMMFJS-KUCQQTCKSA-N
MW243.39 g/mol
LogP4.47
Rot. Bonds5

About (E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine

(E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine (PubChem CID 73334860) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
PubChem CID73334860
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
SMILESC[C@@H](NC/C=C/C1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25N/c1-15(17-12-6-3-7-13-17)18-14-8-11-16-9-4-2-5-10-16/h3,6-8,11-13,15-16,18H,2,4-5,9-10,14H2,1H3/b11-8+/t15-/m1/s1
InChIKeyKTDCUHLZWMMFJS-KUCQQTCKSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine with MolForge

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Related Compounds

3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine
CID 79348258
(Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine
CID 102078322
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
2-[[(1S)-1-phenylethyl]amino]acetaldehyde
CID 173253392
N-(1-phenylethyl)cyclododecanamine
CID 60662638
(E)-N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 73336131
N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 123802706
N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine
CID 79348190
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine
CID 43079659

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine (CID 73334860) is (E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine is C[C@@H](NC/C=C/C1CCCCC1)c1ccccc1.
What is the InChIKey of (E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine?
The InChIKey is KTDCUHLZWMMFJS-KUCQQTCKSA-N. The full InChI is InChI=1S/C17H25N/c1-15(17-12-6-3-7-13-17)18-14-8-11-16-9-4-2-5-10-16/h3,6-8,11-13,15-16,18H,2,4-5,9-10,14H2,1H3/b11-8+/t15-/m1/s1.
What are the key properties of (E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine?
(E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine is sourced from PubChem (CID 73334860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).