N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine

C13H15N3 — CID 143593614

IUPACN-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine
SMILESCN(/N=C/c1ccncc1)C1=CCCC=C1
InChIInChI=1S/C13H15N3/c1-16(13-5-3-2-4-6-13)15-11-12-7-9-14-10-8-12/h3,5-11H,2,4H2,1H3/b15-11+
InChIKeyHBASJFCFPZCXDA-RVDMUPIBSA-N
MW213.28 g/mol
LogP2.58
Rot. Bonds3

About N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine

N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine (PubChem CID 143593614) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine
PubChem CID143593614
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine
SMILESCN(/N=C/c1ccncc1)C1=CCCC=C1
InChIInChI=1S/C13H15N3/c1-16(13-5-3-2-4-6-13)15-11-12-7-9-14-10-8-12/h3,5-11H,2,4H2,1H3/b15-11+
InChIKeyHBASJFCFPZCXDA-RVDMUPIBSA-N
XLogP2.58
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-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 N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine (CID 143593614) is N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine is CN(/N=C/c1ccncc1)C1=CCCC=C1.
What is the InChIKey of N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine?
The InChIKey is HBASJFCFPZCXDA-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H15N3/c1-16(13-5-3-2-4-6-13)15-11-12-7-9-14-10-8-12/h3,5-11H,2,4H2,1H3/b15-11+.
What are the key properties of N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine?
N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine has a molecular weight of 213.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143593614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).