4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine

C25H27N — CID 86174000

IUPAC4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine
SMILESC(CCNCCCc1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N/c1-4-12-22(13-5-1)14-10-20-26-21-11-19-25(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-19,26H,10-11,14,20-21H2
InChIKeyDKTXAEXAGWHXCW-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.73
Rot. Bonds9

About 4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine

4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine (PubChem CID 86174000) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine.

Molecular Properties

Compound Name4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine
PubChem CID86174000
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine
SMILESC(CCNCCCc1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N/c1-4-12-22(13-5-1)14-10-20-26-21-11-19-25(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-19,26H,10-11,14,20-21H2
InChIKeyDKTXAEXAGWHXCW-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.73
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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Related Compounds

2-(3-phenylpropylamino)ethanol
CID 19012091
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
4-bromo-N-(3-phenylpropyl)butan-1-amine
CID 106844820
N-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride
CID 67608371
methyl 3-(4,4-diphenylbut-3-enylamino)propanoate
CID 71739732
4-[(Z)-1,5-diphenylpent-1-enyl]pyridine-2,6-diamine
CID 159994719
N-(2-bromoethyl)-3-phenylpropan-1-amine
CID 68743153
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N-(2-chloroethyl)-3-phenylpropan-1-amine;hydrochloride
CID 141396605
N-(chloromethyl)-3-phenylpropan-1-amine
CID 141240015
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
N-(3-phenylpropyl)undecan-1-amine
CID 10469447

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine?
The IUPAC name of 4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine (CID 86174000) is 4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine.
What is the SMILES notation for 4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine?
The canonical SMILES for 4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine is C(CCNCCCc1ccccc1)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine?
The InChIKey is DKTXAEXAGWHXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-4-12-22(13-5-1)14-10-20-26-21-11-19-25(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-19,26H,10-11,14,20-21H2.
What are the key properties of 4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine?
4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine has a molecular weight of 341.50 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine is sourced from PubChem (CID 86174000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).