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

C12H20N2O — CID 114495365

IUPAC2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
SMILESCCC(C)(O)CN(C)Cc1cccnc1
InChIInChI=1S/C12H20N2O/c1-4-12(2,15)10-14(3)9-11-6-5-7-13-8-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyPDSFBSCVJDRPND-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.67
Rot. Bonds5

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

2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol (PubChem CID 114495365) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
PubChem CID114495365
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
SMILESCCC(C)(O)CN(C)Cc1cccnc1
InChIInChI=1S/C12H20N2O/c1-4-12(2,15)10-14(3)9-11-6-5-7-13-8-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyPDSFBSCVJDRPND-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal
CID 62276200
2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one
CID 63196149
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256830
2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 63934733
N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide
CID 99789218
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256998
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 79809149
2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine
CID 65015832
CID 174532487
CID 174532487
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol (CID 114495365) is 2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol is CCC(C)(O)CN(C)Cc1cccnc1.
What is the InChIKey of 2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol?
The InChIKey is PDSFBSCVJDRPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-12(2,15)10-14(3)9-11-6-5-7-13-8-11/h5-8,15H,4,9-10H2,1-3H3.
What are the key properties of 2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol?
2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol has a molecular weight of 208.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 114495365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).