(2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine

C21H23N — CID 88770312

IUPAC(2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine
SMILESC=CCN(C)C/C=C/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N/c1-3-16-22(2)17-10-15-21(20-13-8-5-9-14-20)18-19-11-6-4-7-12-19/h3-15,18H,1,16-17H2,2H3/b15-10+,21-18+
InChIKeyKAGIPCGEFAAGEI-REFVHMSQSA-N
MW289.42 g/mol
LogP4.90
Rot. Bonds7

About (2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine

(2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine (PubChem CID 88770312) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is (2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine
PubChem CID88770312
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name(2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine
SMILESC=CCN(C)C/C=C/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N/c1-3-16-22(2)17-10-15-21(20-13-8-5-9-14-20)18-19-11-6-4-7-12-19/h3-15,18H,1,16-17H2,2H3/b15-10+,21-18+
InChIKeyKAGIPCGEFAAGEI-REFVHMSQSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927310
(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927311
4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline
CID 89078708
[(1Z,3Z)-5-methyl-1-phenylhexa-1,3-dien-2-yl]benzene
CID 10901004
4,5-diphenylpenta-2,4-dienal
CID 54539333
[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone
CID 67785165
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093
4,5-diphenylpenta-2,4-dienoyl chloride
CID 54542291
N-[4-(3,4-diphenylbuta-1,3-dienyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54320320
[(4E,6E)-undeca-1,4,6-trien-5-yl]benzene
CID 101219180
N-(1,2-diphenylethenyl)-N-methylaniline
CID 76766210
N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline
CID 5357615

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine (CID 88770312) is (2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine is C=CCN(C)C/C=C/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine?
The InChIKey is KAGIPCGEFAAGEI-REFVHMSQSA-N. The full InChI is InChI=1S/C21H23N/c1-3-16-22(2)17-10-15-21(20-13-8-5-9-14-20)18-19-11-6-4-7-12-19/h3-15,18H,1,16-17H2,2H3/b15-10+,21-18+.
What are the key properties of (2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine?
(2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine has a molecular weight of 289.42 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-methyl-4,5-diphenyl-N-prop-2-enylpenta-2,4-dien-1-amine is sourced from PubChem (CID 88770312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).