(E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine

C16H18N2 — CID 22952354

IUPAC(E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine
SMILESCCC/C(=N\c1ncccc1C)c1ccccc1
InChIInChI=1S/C16H18N2/c1-3-8-15(14-10-5-4-6-11-14)18-16-13(2)9-7-12-17-16/h4-7,9-12H,3,8H2,1-2H3/b18-15+
InChIKeyPBJWXLIKTLQMIQ-OBGWFSINSA-N
MW238.33 g/mol
LogP4.31
Rot. Bonds4

About (E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine

(E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine (PubChem CID 22952354) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine.

Molecular Properties

Compound Name(E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine
PubChem CID22952354
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine
SMILESCCC/C(=N\c1ncccc1C)c1ccccc1
InChIInChI=1S/C16H18N2/c1-3-8-15(14-10-5-4-6-11-14)18-16-13(2)9-7-12-17-16/h4-7,9-12H,3,8H2,1-2H3/b18-15+
InChIKeyPBJWXLIKTLQMIQ-OBGWFSINSA-N
XLogP4.31
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-phenylbutylideneamino)guanidine
CID 76872532
N'-(3-hydroxy-2-pyridinyl)butanimidamide
CID 22871178
2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
CID 6520046
1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 135459002
1-phenylbutan-1-one
CID 10315
methyl N'-(1-phenylbutylideneamino)carbamimidothioate
CID 131862850
1-phenylbutan-1-one;hydrobromide
CID 139638507
N'-(3-methyl-2-pyridinyl)methanimidamide
CID 55281981
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
2-(2-aminopyrido[3,2-d]pyrimidin-4-yl)imino-2-phenylethanol
CID 145149430
1-hydroxy-1-pyridin-2-ylhex-1-en-3-one
CID 75107546
ethane;3-methyl-2-phenylpyridine;pentane
CID 155691053

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine?
The IUPAC name of (E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine (CID 22952354) is (E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine.
What is the SMILES notation for (E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine?
The canonical SMILES for (E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine is CCC/C(=N\c1ncccc1C)c1ccccc1.
What is the InChIKey of (E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine?
The InChIKey is PBJWXLIKTLQMIQ-OBGWFSINSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-8-15(14-10-5-4-6-11-14)18-16-13(2)9-7-12-17-16/h4-7,9-12H,3,8H2,1-2H3/b18-15+.
What are the key properties of (E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine?
(E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine has a molecular weight of 238.33 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methyl-2-pyridinyl)-1-phenylbutan-1-imine is sourced from PubChem (CID 22952354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).