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

C13H22N2O — CID 62042147

IUPAC1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(C)CCc1ccccn1
InChIInChI=1S/C13H22N2O/c1-3-6-13(16)11-15(2)10-8-12-7-4-5-9-14-12/h4-5,7,9,13,16H,3,6,8,10-11H2,1-2H3
InChIKeyWBBGSYHAYSEBKH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.72
Rot. Bonds7

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

1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol (PubChem CID 62042147) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
PubChem CID62042147
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(C)CCc1ccccn1
InChIInChI=1S/C13H22N2O/c1-3-6-13(16)11-15(2)10-8-12-7-4-5-9-14-12/h4-5,7,9,13,16H,3,6,8,10-11H2,1-2H3
InChIKeyWBBGSYHAYSEBKH-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol?
The IUPAC name of 1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol (CID 62042147) is 1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol.
What is the SMILES notation for 1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol?
The canonical SMILES for 1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol is CCCC(O)CN(C)CCc1ccccn1.
What is the InChIKey of 1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol?
The InChIKey is WBBGSYHAYSEBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-6-13(16)11-15(2)10-8-12-7-4-5-9-14-12/h4-5,7,9,13,16H,3,6,8,10-11H2,1-2H3.
What are the key properties of 1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol?
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol is sourced from PubChem (CID 62042147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).