1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine

C12H19ClN2 — CID 112651368

IUPAC1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine
SMILESCCC(C)(CCl)NCc1ncccc1C
InChIInChI=1S/C12H19ClN2/c1-4-12(3,9-13)15-8-11-10(2)6-5-7-14-11/h5-7,15H,4,8-9H2,1-3H3
InChIKeyUAPJJUXTTQIUCZ-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.89
Rot. Bonds5

About 1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine

1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine (PubChem CID 112651368) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine
PubChem CID112651368
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine
SMILESCCC(C)(CCl)NCc1ncccc1C
InChIInChI=1S/C12H19ClN2/c1-4-12(3,9-13)15-8-11-10(2)6-5-7-14-11/h5-7,15H,4,8-9H2,1-3H3
InChIKeyUAPJJUXTTQIUCZ-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,4-trimethyl-N-[(3-methyl-2-pyridinyl)methyl]pentan-2-amine
CID 112550264
2-ethoxy-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114942154
2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol
CID 81419845
1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 65025267
4-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650022
2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid
CID 115431161
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 78942030
2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol
CID 65337637
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758257
2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 111440131
N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline
CID 55203857
2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365313

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine?
The IUPAC name of 1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine (CID 112651368) is 1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine.
What is the SMILES notation for 1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine?
The canonical SMILES for 1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine is CCC(C)(CCl)NCc1ncccc1C.
What is the InChIKey of 1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine?
The InChIKey is UAPJJUXTTQIUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-4-12(3,9-13)15-8-11-10(2)6-5-7-14-11/h5-7,15H,4,8-9H2,1-3H3.
What are the key properties of 1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine?
1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine has a molecular weight of 226.75 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]butan-2-amine is sourced from PubChem (CID 112651368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).