N,N-dibenzyl-4-phenylbut-3-en-2-amine

C24H25N — CID 85232866

IUPACN,N-dibenzyl-4-phenylbut-3-en-2-amine
SMILESCC(C=Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25N/c1-21(17-18-22-11-5-2-6-12-22)25(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-18,21H,19-20H2,1H3
InChIKeyOIBKOYQPBONBIO-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.79
Rot. Bonds7

About N,N-dibenzyl-4-phenylbut-3-en-2-amine

N,N-dibenzyl-4-phenylbut-3-en-2-amine (PubChem CID 85232866) has the molecular formula C24H25N and a molecular weight of 327.47 g/mol. Its IUPAC name is N,N-dibenzyl-4-phenylbut-3-en-2-amine.

Molecular Properties

Compound NameN,N-dibenzyl-4-phenylbut-3-en-2-amine
PubChem CID85232866
Molecular FormulaC24H25N
Molecular Weight327.47 g/mol
Exact Mass327.20
IUPAC NameN,N-dibenzyl-4-phenylbut-3-en-2-amine
SMILESCC(C=Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25N/c1-21(17-18-22-11-5-2-6-12-22)25(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-18,21H,19-20H2,1H3
InChIKeyOIBKOYQPBONBIO-UHFFFAOYSA-N
XLogP5.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-phenylbut-3-en-2-amine?
The IUPAC name of N,N-dibenzyl-4-phenylbut-3-en-2-amine (CID 85232866) is N,N-dibenzyl-4-phenylbut-3-en-2-amine.
What is the SMILES notation for N,N-dibenzyl-4-phenylbut-3-en-2-amine?
The canonical SMILES for N,N-dibenzyl-4-phenylbut-3-en-2-amine is CC(C=Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-4-phenylbut-3-en-2-amine?
The InChIKey is OIBKOYQPBONBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N/c1-21(17-18-22-11-5-2-6-12-22)25(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-18,21H,19-20H2,1H3.
What are the key properties of N,N-dibenzyl-4-phenylbut-3-en-2-amine?
N,N-dibenzyl-4-phenylbut-3-en-2-amine has a molecular weight of 327.47 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-phenylbut-3-en-2-amine is sourced from PubChem (CID 85232866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).