(E)-5-(4-phenylphenyl)hex-4-en-1-amine

C18H21N — CID 95462396

IUPAC(E)-5-(4-phenylphenyl)hex-4-en-1-amine
SMILESC/C(=C\CCCN)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21N/c1-15(7-5-6-14-19)16-10-12-18(13-11-16)17-8-3-2-4-9-17/h2-4,7-13H,5-6,14,19H2,1H3/b15-7+
InChIKeyFCIWTAKKXVYHIU-VIZOYTHASA-N
MW251.37 g/mol
LogP4.50
Rot. Bonds5

About (E)-5-(4-phenylphenyl)hex-4-en-1-amine

(E)-5-(4-phenylphenyl)hex-4-en-1-amine (PubChem CID 95462396) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (E)-5-(4-phenylphenyl)hex-4-en-1-amine.

Molecular Properties

Compound Name(E)-5-(4-phenylphenyl)hex-4-en-1-amine
PubChem CID95462396
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(E)-5-(4-phenylphenyl)hex-4-en-1-amine
SMILESC/C(=C\CCCN)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21N/c1-15(7-5-6-14-19)16-10-12-18(13-11-16)17-8-3-2-4-9-17/h2-4,7-13H,5-6,14,19H2,1H3/b15-7+
InChIKeyFCIWTAKKXVYHIU-VIZOYTHASA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-phenylphenyl)hex-4-en-1-amine?
The IUPAC name of (E)-5-(4-phenylphenyl)hex-4-en-1-amine (CID 95462396) is (E)-5-(4-phenylphenyl)hex-4-en-1-amine.
What is the SMILES notation for (E)-5-(4-phenylphenyl)hex-4-en-1-amine?
The canonical SMILES for (E)-5-(4-phenylphenyl)hex-4-en-1-amine is C/C(=C\CCCN)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-5-(4-phenylphenyl)hex-4-en-1-amine?
The InChIKey is FCIWTAKKXVYHIU-VIZOYTHASA-N. The full InChI is InChI=1S/C18H21N/c1-15(7-5-6-14-19)16-10-12-18(13-11-16)17-8-3-2-4-9-17/h2-4,7-13H,5-6,14,19H2,1H3/b15-7+.
What are the key properties of (E)-5-(4-phenylphenyl)hex-4-en-1-amine?
(E)-5-(4-phenylphenyl)hex-4-en-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-phenylphenyl)hex-4-en-1-amine is sourced from PubChem (CID 95462396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).