N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine

C14H15N3 — CID 141433789

IUPACN-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine
SMILESCc1ccc(C=NNCc2ccncc2)cc1
InChIInChI=1S/C14H15N3/c1-12-2-4-13(5-3-12)10-16-17-11-14-6-8-15-9-7-14/h2-10,17H,11H2,1H3
InChIKeyMDTCKROLTXZPHG-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.51
Rot. Bonds4

About N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine

N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine (PubChem CID 141433789) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine
PubChem CID141433789
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC NameN-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine
SMILESCc1ccc(C=NNCc2ccncc2)cc1
InChIInChI=1S/C14H15N3/c1-12-2-4-13(5-3-12)10-16-17-11-14-6-8-15-9-7-14/h2-10,17H,11H2,1H3
InChIKeyMDTCKROLTXZPHG-UHFFFAOYSA-N
XLogP2.51
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine
CID 134092995
1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine
CID 110839910
N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 122191415
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 51042560
N,N-diethyl-2,2-dimethyl-3-(pyridin-4-ylmethylhydrazinylidene)propan-1-amine
CID 154184122
2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine
CID 16736452
(E)-2-cyano-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 112979583
3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile
CID 2323327
4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine
CID 5149886
1-pyridin-4-yl-N-[5-(pyridin-4-ylmethylhydrazinylidene)hexan-2-ylideneamino]methanamine
CID 157010811
N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline
CID 110839639

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine (CID 141433789) is N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine is Cc1ccc(C=NNCc2ccncc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine?
The InChIKey is MDTCKROLTXZPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-12-2-4-13(5-3-12)10-16-17-11-14-6-8-15-9-7-14/h2-10,17H,11H2,1H3.
What are the key properties of N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine?
N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine has a molecular weight of 225.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 141433789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).