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

C13H22N2O — CID 115251118

IUPAC2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)CCc1ccccn1
InChIInChI=1S/C13H22N2O/c1-3-12(11-16)10-15(2)9-7-13-6-4-5-8-14-13/h4-6,8,12,16H,3,7,9-11H2,1-2H3
InChIKeySPRSESFKGLPBOT-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.57
Rot. Bonds7

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

2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol (PubChem CID 115251118) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol
PubChem CID115251118
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)CCc1ccccn1
InChIInChI=1S/C13H22N2O/c1-3-12(11-16)10-15(2)9-7-13-6-4-5-8-14-13/h4-6,8,12,16H,3,7,9-11H2,1-2H3
InChIKeySPRSESFKGLPBOT-UHFFFAOYSA-N
XLogP1.57
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
1-(methylamino)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 43187938
N-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62418035
1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol
CID 79037353
3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 114228723
3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
CID 115137806
1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 104744569
(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
CID 757307
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol (CID 115251118) is 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol is CCC(CO)CN(C)CCc1ccccn1.
What is the InChIKey of 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol?
The InChIKey is SPRSESFKGLPBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-12(11-16)10-15(2)9-7-13-6-4-5-8-14-13/h4-6,8,12,16H,3,7,9-11H2,1-2H3.
What are the key properties of 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol?
2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 115251118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).