N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine

C15H18N4 — CID 89329276

IUPACN-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine
SMILESC/C(=N\N(C)c1ccccn1)c1cc(C)ccc1N
InChIInChI=1S/C15H18N4/c1-11-7-8-14(16)13(10-11)12(2)18-19(3)15-6-4-5-9-17-15/h4-10H,16H2,1-3H3/b18-12+
InChIKeyDKTSQJQPWVOHAW-LDADJPATSA-N
MW254.34 g/mol
LogP2.83
Rot. Bonds3

About N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine

N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine (PubChem CID 89329276) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine
PubChem CID89329276
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine
SMILESC/C(=N\N(C)c1ccccn1)c1cc(C)ccc1N
InChIInChI=1S/C15H18N4/c1-11-7-8-14(16)13(10-11)12(2)18-19(3)15-6-4-5-9-17-15/h4-10H,16H2,1-3H3/b18-12+
InChIKeyDKTSQJQPWVOHAW-LDADJPATSA-N
XLogP2.83
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine?
The IUPAC name of N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine (CID 89329276) is N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine?
The canonical SMILES for N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine is C/C(=N\N(C)c1ccccn1)c1cc(C)ccc1N.
What is the InChIKey of N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine?
The InChIKey is DKTSQJQPWVOHAW-LDADJPATSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-7-8-14(16)13(10-11)12(2)18-19(3)15-6-4-5-9-17-15/h4-10H,16H2,1-3H3/b18-12+.
What are the key properties of N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine?
N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine has a molecular weight of 254.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]-N-methylpyridin-2-amine is sourced from PubChem (CID 89329276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).