3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol

C12H20N2O — CID 115251995

IUPAC3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol
SMILESCC(C)C(CO)CN(C)c1cccnc1
InChIInChI=1S/C12H20N2O/c1-10(2)11(9-15)8-14(3)12-5-4-6-13-7-12/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyOSHIHKXKGAVQQZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.78
Rot. Bonds5

About 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol

3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol (PubChem CID 115251995) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol
PubChem CID115251995
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol
SMILESCC(C)C(CO)CN(C)c1cccnc1
InChIInChI=1S/C12H20N2O/c1-10(2)11(9-15)8-14(3)12-5-4-6-13-7-12/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyOSHIHKXKGAVQQZ-UHFFFAOYSA-N
XLogP1.78
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile
CID 115254409
2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide
CID 115187257
2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol
CID 115133332
N'-methyl-N-propan-2-yl-N'-pyridin-3-ylethane-1,2-diamine
CID 115206418
3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol
CID 115251983
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729
N,N-dimethylpyridin-3-amine;hydrochloride
CID 23028557
2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol
CID 115251960
(E)-4-[methyl(pyridin-3-yl)amino]but-2-enoic acid
CID 115237054
(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132034
2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol
CID 116945678

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol (CID 115251995) is 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol is CC(C)C(CO)CN(C)c1cccnc1.
What is the InChIKey of 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol?
The InChIKey is OSHIHKXKGAVQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)11(9-15)8-14(3)12-5-4-6-13-7-12/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol?
3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 115251995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).