N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline

C16H19N3 — CID 5381298

IUPACN-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline
SMILESCC(C)C/C(=N/Nc1ccccc1)c1ccccn1
InChIInChI=1S/C16H19N3/c1-13(2)12-16(15-10-6-7-11-17-15)19-18-14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3/b19-16-
InChIKeyVSUOVFCLAPWVJG-MNDPQUGUSA-N
MW253.35 g/mol
LogP3.94
Rot. Bonds5

About N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline

N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline (PubChem CID 5381298) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline.

Molecular Properties

Compound NameN-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline
PubChem CID5381298
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline
SMILESCC(C)C/C(=N/Nc1ccccc1)c1ccccn1
InChIInChI=1S/C16H19N3/c1-13(2)12-16(15-10-6-7-11-17-15)19-18-14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3/b19-16-
InChIKeyVSUOVFCLAPWVJG-MNDPQUGUSA-N
XLogP3.94
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.94
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

(6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 6198735
(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid
CID 18965760
(6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 40901437
(6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate
CID 6198728
(1Z)-N-anilino-3-methylbutanimidoyl cyanide
CID 10888950
(6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 6837215
N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide
CID 70387790
3-chloro-4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]aniline
CID 7612604
N'-phenyl-N-propan-2-ylpyridine-2-carbohydrazide
CID 171975363
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
2-anilino-1-pyridin-2-ylpropan-1-one
CID 160887436
(2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide
CID 10040229

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline?
The IUPAC name of N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline (CID 5381298) is N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline.
What is the SMILES notation for N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline?
The canonical SMILES for N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline is CC(C)C/C(=N/Nc1ccccc1)c1ccccn1.
What is the InChIKey of N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline?
The InChIKey is VSUOVFCLAPWVJG-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H19N3/c1-13(2)12-16(15-10-6-7-11-17-15)19-18-14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3/b19-16-.
What are the key properties of N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline?
N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline has a molecular weight of 253.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline is sourced from PubChem (CID 5381298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).