4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine

C22H25N — CID 3026468

IUPAC4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine
SMILESC=CCN(CC=C)CCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25N/c1-3-17-23(18-4-2)19-11-16-22(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3-10,12-16H,1-2,11,17-19H2
InChIKeyKJFSZVKLTYUXOP-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.18
Rot. Bonds9

About 4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine

4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine (PubChem CID 3026468) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine.

Molecular Properties

Compound Name4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine
PubChem CID3026468
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine
SMILESC=CCN(CC=C)CCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25N/c1-3-17-23(18-4-2)19-11-16-22(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3-10,12-16H,1-2,11,17-19H2
InChIKeyKJFSZVKLTYUXOP-UHFFFAOYSA-N
XLogP5.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Benzphetamine
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Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine?
The IUPAC name of 4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine (CID 3026468) is 4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine.
What is the SMILES notation for 4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine?
The canonical SMILES for 4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine is C=CCN(CC=C)CCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine?
The InChIKey is KJFSZVKLTYUXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-3-17-23(18-4-2)19-11-16-22(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3-10,12-16H,1-2,11,17-19H2.
What are the key properties of 4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine?
4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine has a molecular weight of 303.45 g/mol, XLogP of 5.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine is sourced from PubChem (CID 3026468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).