4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine

C23H23N — CID 167246239

IUPAC4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine
SMILESC/C=C/C1=C(C)CC=C(N(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C23H23N/c1-3-10-20-16-18-23(17-15-19(20)2)24(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h3-14,16-18H,15H2,1-2H3/b10-3+
InChIKeyONRYJXHLPLUUML-XCVCLJGOSA-N
MW313.44 g/mol
LogP6.56
Rot. Bonds4

About 4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine

4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine (PubChem CID 167246239) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine
PubChem CID167246239
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine
SMILESC/C=C/C1=C(C)CC=C(N(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C23H23N/c1-3-10-20-16-18-23(17-15-19(20)2)24(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h3-14,16-18H,15H2,1-2H3/b10-3+
InChIKeyONRYJXHLPLUUML-XCVCLJGOSA-N
XLogP6.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine (CID 167246239) is 4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine is C/C=C/C1=C(C)CC=C(N(c2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of 4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine?
The InChIKey is ONRYJXHLPLUUML-XCVCLJGOSA-N. The full InChI is InChI=1S/C23H23N/c1-3-10-20-16-18-23(17-15-19(20)2)24(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h3-14,16-18H,15H2,1-2H3/b10-3+.
What are the key properties of 4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine?
4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine has a molecular weight of 313.44 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 167246239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).