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

C13H22N2O — CID 115137806

IUPAC3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
SMILESCC(C)C(CO)N(C)CCc1ccccn1
InChIInChI=1S/C13H22N2O/c1-11(2)13(10-16)15(3)9-7-12-6-4-5-8-14-12/h4-6,8,11,13,16H,7,9-10H2,1-3H3
InChIKeyNBBRAMBEIZOLID-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.57
Rot. Bonds6

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

3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol (PubChem CID 115137806) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
PubChem CID115137806
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
SMILESCC(C)C(CO)N(C)CCc1ccccn1
InChIInChI=1S/C13H22N2O/c1-11(2)13(10-16)15(3)9-7-12-6-4-5-8-14-12/h4-6,8,11,13,16H,7,9-10H2,1-3H3
InChIKeyNBBRAMBEIZOLID-UHFFFAOYSA-N
XLogP1.57
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol
CID 111462145
3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 43187234
2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
CID 43228048
3-[methyl(2-pyridin-2-ylethyl)amino]butanethioamide
CID 60915227
3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol
CID 114356672
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62417470
2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol
CID 115251118
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
2-(3-ethyl-4-methylpentyl)pyridine
CID 67454741

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol (CID 115137806) is 3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol is CC(C)C(CO)N(C)CCc1ccccn1.
What is the InChIKey of 3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol?
The InChIKey is NBBRAMBEIZOLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)13(10-16)15(3)9-7-12-6-4-5-8-14-12/h4-6,8,11,13,16H,7,9-10H2,1-3H3.
What are the key properties of 3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol?
3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol is sourced from PubChem (CID 115137806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).