2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol

C12H20N2O — CID 65337637

IUPAC2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol
SMILESCc1cccnc1CNC(C)C(C)(C)O
InChIInChI=1S/C12H20N2O/c1-9-6-5-7-13-11(9)8-14-10(2)12(3,4)15/h5-7,10,14-15H,8H2,1-4H3
InChIKeyNZNKJXLOTFKQNF-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.64
Rot. Bonds4

About 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol

2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol (PubChem CID 65337637) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol
PubChem CID65337637
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol
SMILESCc1cccnc1CNC(C)C(C)(C)O
InChIInChI=1S/C12H20N2O/c1-9-6-5-7-13-11(9)8-14-10(2)12(3,4)15/h5-7,10,14-15H,8H2,1-4H3
InChIKeyNZNKJXLOTFKQNF-UHFFFAOYSA-N
XLogP1.64
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
1-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305633
(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 103954568
5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107706544
2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115614108
methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate
CID 79397097
N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
CID 63306295
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 63306075
2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
CID 104644480
1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111121213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol?
The IUPAC name of 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol (CID 65337637) is 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol is Cc1cccnc1CNC(C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol?
The InChIKey is NZNKJXLOTFKQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-6-5-7-13-11(9)8-14-10(2)12(3,4)15/h5-7,10,14-15H,8H2,1-4H3.
What are the key properties of 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol?
2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol is sourced from PubChem (CID 65337637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).