(2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine

C15H18N2 — CID 143011668

IUPAC(2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(C)=C\C=C(/C)N/N=C/c1ccccc1
InChIInChI=1S/C15H18N2/c1-4-13(2)10-11-14(3)17-16-12-15-8-6-5-7-9-15/h4-12,17H,1H2,2-3H3/b13-10-,14-11+,16-12+
InChIKeyASVNPCRSZXXHPG-NUFHHETLSA-N
MW226.32 g/mol
LogP3.65
Rot. Bonds5

About (2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine

(2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine (PubChem CID 143011668) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine
PubChem CID143011668
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(C)=C\C=C(/C)N/N=C/c1ccccc1
InChIInChI=1S/C15H18N2/c1-4-13(2)10-11-14(3)17-16-12-15-8-6-5-7-9-15/h4-12,17H,1H2,2-3H3/b13-10-,14-11+,16-12+
InChIKeyASVNPCRSZXXHPG-NUFHHETLSA-N
XLogP3.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-benzylideneamino]-1,1-dimethylthiourea
CID 13297422
N-(benzylideneamino)-2-methyliminopropanamide
CID 123683889
[(E)-benzylideneamino]urea
CID 6861419
1-[(E)-benzylideneamino]-3-hydroxythiourea
CID 16729007
copper;bis(methyl N-(benzylideneamino)carbamodithioate)
CID 50910613
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
bis(2-methylbuta-1,3-dienylbenzene);styrene
CID 173409204
N-[(E)-benzylideneamino]butanamide
CID 6872028
[(E)-benzylideneamino]thiourea;ethane;ethane;tungsten
CID 172958420
1-amino-3-[(Z)-benzylideneamino]thiourea
CID 6082956
1-[(E)-benzylideneamino]-3-(2-methylbutan-2-yl)thiourea
CID 131990785
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine (CID 143011668) is (2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine is C=C/C(C)=C\C=C(/C)N/N=C/c1ccccc1.
What is the InChIKey of (2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine?
The InChIKey is ASVNPCRSZXXHPG-NUFHHETLSA-N. The full InChI is InChI=1S/C15H18N2/c1-4-13(2)10-11-14(3)17-16-12-15-8-6-5-7-9-15/h4-12,17H,1H2,2-3H3/b13-10-,14-11+,16-12+.
What are the key properties of (2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine?
(2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine has a molecular weight of 226.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(E)-benzylideneamino]-5-methylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 143011668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).