2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol

C11H19N3O — CID 80842101

IUPAC2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol
SMILESCCC(C)(O)CNc1cccc(NC)n1
InChIInChI=1S/C11H19N3O/c1-4-11(2,15)8-13-10-7-5-6-9(12-3)14-10/h5-7,15H,4,8H2,1-3H3,(H2,12,13,14)
InChIKeyGRDWEBBNCOMGDE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.70
Rot. Bonds5

About 2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol

2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol (PubChem CID 80842101) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol
PubChem CID80842101
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol
SMILESCCC(C)(O)CNc1cccc(NC)n1
InChIInChI=1S/C11H19N3O/c1-4-11(2,15)8-13-10-7-5-6-9(12-3)14-10/h5-7,15H,4,8H2,1-3H3,(H2,12,13,14)
InChIKeyGRDWEBBNCOMGDE-UHFFFAOYSA-N
XLogP1.70
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(methylamino)-2-pyridinyl]amino]propan-2-ol
CID 80780222
3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66169557
2-methyl-1-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565294
6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine
CID 103463547
1-(2,6-diethylanilino)-2-methylbutan-2-ol
CID 114493054
1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 107257871
6-(methylamino)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 62238570
N-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]acetamide
CID 80786842
2-methyl-1-[(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 65110504
2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
CID 80839882
4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol
CID 80798348
(2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol
CID 99855806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol (CID 80842101) is 2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol is CCC(C)(O)CNc1cccc(NC)n1.
What is the InChIKey of 2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol?
The InChIKey is GRDWEBBNCOMGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-11(2,15)8-13-10-7-5-6-9(12-3)14-10/h5-7,15H,4,8H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol?
2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol is sourced from PubChem (CID 80842101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).