1-(2-methyl-3-pyridinyl)butan-1-imine

C10H14N2 — CID 167446890

IUPAC1-(2-methyl-3-pyridinyl)butan-1-imine
SMILES[H]/N=C(\CCC)c1cccnc1C
InChIInChI=1S/C10H14N2/c1-3-5-10(11)9-6-4-7-12-8(9)2/h4,6-7,11H,3,5H2,1-2H3/b11-10+
InChIKeyFJDRMYDFGHIHAP-ZHACJKMWSA-N
MW162.24 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-methyl-3-pyridinyl)butan-1-imine

1-(2-methyl-3-pyridinyl)butan-1-imine (PubChem CID 167446890) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-(2-methyl-3-pyridinyl)butan-1-imine.

Molecular Properties

Compound Name1-(2-methyl-3-pyridinyl)butan-1-imine
PubChem CID167446890
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-(2-methyl-3-pyridinyl)butan-1-imine
SMILES[H]/N=C(\CCC)c1cccnc1C
InChIInChI=1S/C10H14N2/c1-3-5-10(11)9-6-4-7-12-8(9)2/h4,6-7,11H,3,5H2,1-2H3/b11-10+
InChIKeyFJDRMYDFGHIHAP-ZHACJKMWSA-N
XLogP2.56
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-1-(2-methyl-3-pyridinyl)propane-1,3-diimine
CID 123848006
1-(2,6-dimethyl-3-pyridinyl)butan-1-imine
CID 142310807
(Z)-2-(2-methyl-3-pyridinyl)pent-1-en-1-amine
CID 142342701
1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
1-pyridin-4-ylbutan-1-imine
CID 59020939
4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 82402283
2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine
CID 142523864
1-(2,3-dimethylphenyl)pentan-1-imine
CID 57407840
ethyl 2-(2-methyl-3-pyridinyl)ethanimidate
CID 19099344
2-methyl-3-[(Z)-4-propylhept-2-en-3-yl]pyridine
CID 142336117
1-(2-methyl-3-pyridinyl)but-3-yn-1-one
CID 105076440

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-pyridinyl)butan-1-imine?
The IUPAC name of 1-(2-methyl-3-pyridinyl)butan-1-imine (CID 167446890) is 1-(2-methyl-3-pyridinyl)butan-1-imine.
What is the SMILES notation for 1-(2-methyl-3-pyridinyl)butan-1-imine?
The canonical SMILES for 1-(2-methyl-3-pyridinyl)butan-1-imine is [H]/N=C(\CCC)c1cccnc1C.
What is the InChIKey of 1-(2-methyl-3-pyridinyl)butan-1-imine?
The InChIKey is FJDRMYDFGHIHAP-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-5-10(11)9-6-4-7-12-8(9)2/h4,6-7,11H,3,5H2,1-2H3/b11-10+.
What are the key properties of 1-(2-methyl-3-pyridinyl)butan-1-imine?
1-(2-methyl-3-pyridinyl)butan-1-imine has a molecular weight of 162.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyridinyl)butan-1-imine is sourced from PubChem (CID 167446890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).