3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine

C32H38N2O — CID 142933689

About 3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine

3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine (PubChem CID 142933689) has the molecular formula C32H38N2O and a molecular weight of 466.67 g/mol. Its IUPAC name is 3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine.

Molecular Properties

• Compound Name: 3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine
• PubChem CID: 142933689
• Molecular Formula: C32H38N2O
• Molecular Weight: 466.67 g/mol
• Exact Mass: 466.30
• IUPAC Name: 3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine
• SMILES: C=C(C)c1ccc(COc2ccc(CC(NC)/C(C)=N/C(=C\C)c3ccc(C)cc3C)cc2)cc1
• InChI: InChI=1S/C32H38N2O/c1-8-31(30-18-9-23(4)19-24(30)5)34-25(6)32(33-7)20-26-12-16-29(17-13-26)35-21-27-10-14-28(15-11-27)22(2)3/h8-19,32-33H,2,20-21H2,1,3-7H3/b31-8-,34-25+
• InChIKey: LNVGHAZYWQFYRZ-KGLGHUIISA-N
• XLogP: 7.57
• TPSA: 33.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.67
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine?

The IUPAC name of 3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine (CID 142933689) is 3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine.

What is the SMILES notation for 3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine?

The canonical SMILES for 3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine is C=C(C)c1ccc(COc2ccc(CC(NC)/C(C)=N/C(=C\C)c3ccc(C)cc3C)cc2)cc1.

What is the InChIKey of 3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine?

The InChIKey is LNVGHAZYWQFYRZ-KGLGHUIISA-N. The full InChI is InChI=1S/C32H38N2O/c1-8-31(30-18-9-23(4)19-24(30)5)34-25(6)32(33-7)20-26-12-16-29(17-13-26)35-21-27-10-14-28(15-11-27)22(2)3/h8-19,32-33H,2,20-21H2,1,3-7H3/b31-8-,34-25+.

What are the key properties of 3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine?

3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine has a molecular weight of 466.67 g/mol, XLogP of 7.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]imino-N-methyl-1-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 142933689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).