(2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine

C22H26N2 — CID 142848674

IUPAC(2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine
SMILESC=N/C(C)=C\C(NCc1ccccc1)=C(\C)CCc1ccccc1
InChIInChI=1S/C22H26N2/c1-18(14-15-20-10-6-4-7-11-20)22(16-19(2)23-3)24-17-21-12-8-5-9-13-21/h4-13,16,24H,3,14-15,17H2,1-2H3/b19-16-,22-18+
InChIKeyOHNOPTIYYSGQGW-MLYOQPAASA-N
MW318.46 g/mol
LogP5.29
Rot. Bonds8

About (2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine

(2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine (PubChem CID 142848674) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine
PubChem CID142848674
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name(2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine
SMILESC=N/C(C)=C\C(NCc1ccccc1)=C(\C)CCc1ccccc1
InChIInChI=1S/C22H26N2/c1-18(14-15-20-10-6-4-7-11-20)22(16-19(2)23-3)24-17-21-12-8-5-9-13-21/h4-13,16,24H,3,14-15,17H2,1-2H3/b19-16-,22-18+
InChIKeyOHNOPTIYYSGQGW-MLYOQPAASA-N
XLogP5.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine
CID 143602189
N-benzylethanethioamide
CID 3598879
(Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane
CID 144690757
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
(2E,4Z)-N-benzyl-3-ethenyl-5-methylhepta-2,4,6-trien-2-amine
CID 144654659
4-phenylbutan-2-one;prop-1-ene
CID 166128425
(1E)-N-benzyl-1-(methylideneamino)buta-1,3-dien-2-amine
CID 156645928
N-naphthalen-1-yl-4-phenylbutan-2-imine
CID 157374253
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
N-[(E)-3-methyl-5-phenylpent-2-enyl]benzamide
CID 177309069
N-benzyl-4-fluoro-7-oxooctanamide
CID 154713599

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine?
The IUPAC name of (2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine (CID 142848674) is (2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine?
The canonical SMILES for (2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine is C=N/C(C)=C\C(NCc1ccccc1)=C(\C)CCc1ccccc1.
What is the InChIKey of (2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine?
The InChIKey is OHNOPTIYYSGQGW-MLYOQPAASA-N. The full InChI is InChI=1S/C22H26N2/c1-18(14-15-20-10-6-4-7-11-20)22(16-19(2)23-3)24-17-21-12-8-5-9-13-21/h4-13,16,24H,3,14-15,17H2,1-2H3/b19-16-,22-18+.
What are the key properties of (2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine?
(2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine has a molecular weight of 318.46 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-benzyl-5-methyl-2-(methylideneamino)-7-phenylhepta-2,4-dien-4-amine is sourced from PubChem (CID 142848674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).