1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine

C11H15ClN2 — CID 165125525

IUPAC1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine
SMILES[H]/N=C(/c1cnc(Cl)cc1C)C(C)CC
InChIInChI=1S/C11H15ClN2/c1-4-7(2)11(13)9-6-14-10(12)5-8(9)3/h5-7,13H,4H2,1-3H3/b13-11+
InChIKeyJUMJXQJHVCLAFP-ACCUITESSA-N
MW210.71 g/mol
LogP3.46
Rot. Bonds3

About 1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine

1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine (PubChem CID 165125525) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine.

Molecular Properties

Compound Name1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine
PubChem CID165125525
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine
SMILES[H]/N=C(/c1cnc(Cl)cc1C)C(C)CC
InChIInChI=1S/C11H15ClN2/c1-4-7(2)11(13)9-6-14-10(12)5-8(9)3/h5-7,13H,4H2,1-3H3/b13-11+
InChIKeyJUMJXQJHVCLAFP-ACCUITESSA-N
XLogP3.46
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine
CID 165125638
N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 130163146
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)propan-1-amine
CID 55273612
2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine
CID 167080790
1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine
CID 139968155
butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane
CID 144767802
2-methyl-1-phenylbutan-1-imine
CID 12072867
6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine
CID 130497605
2-chloro-5-ethanimidoylpyridin-4-amine
CID 144767803
4-chloro-1-methoxy-2-propylbenzene;ethane;1-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-2-methylbutan-1-imine;(Z)-5-methylhept-3-ene;N-propylpropan-1-amine
CID 165125600
5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine
CID 146393573
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine?
The IUPAC name of 1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine (CID 165125525) is 1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine.
What is the SMILES notation for 1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine?
The canonical SMILES for 1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine is [H]/N=C(/c1cnc(Cl)cc1C)C(C)CC.
What is the InChIKey of 1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine?
The InChIKey is JUMJXQJHVCLAFP-ACCUITESSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-4-7(2)11(13)9-6-14-10(12)5-8(9)3/h5-7,13H,4H2,1-3H3/b13-11+.
What are the key properties of 1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine?
1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine has a molecular weight of 210.71 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine is sourced from PubChem (CID 165125525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).