(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol

C11H14N2O — CID 83132268

IUPAC(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol
SMILESC#CCN(C)c1ccc([C@H](C)O)nc1
InChIInChI=1S/C11H14N2O/c1-4-7-13(3)10-5-6-11(9(2)14)12-8-10/h1,5-6,8-9,14H,7H2,2-3H3/t9-/m0/s1
InChIKeyFESJCDNEVSYZGO-VIFPVBQESA-N
MW190.25 g/mol
LogP1.20
Rot. Bonds3

About (1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol

(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol (PubChem CID 83132268) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol
PubChem CID83132268
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol
SMILESC#CCN(C)c1ccc([C@H](C)O)nc1
InChIInChI=1S/C11H14N2O/c1-4-7-13(3)10-5-6-11(9(2)14)12-8-10/h1,5-6,8-9,14H,7H2,2-3H3/t9-/m0/s1
InChIKeyFESJCDNEVSYZGO-VIFPVBQESA-N
XLogP1.20
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-[5-[2,2-difluoroethyl(methyl)amino]-2-pyridinyl]ethanol
CID 104871019
3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile
CID 83131425
(1R)-1-[5-[methyl(prop-2-enyl)amino]-2-pyridinyl]ethanol
CID 83132695
(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
CID 83132028
(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132456
2-[cyanomethyl-[6-(1-hydroxyethyl)-3-pyridinyl]amino]acetonitrile
CID 83132280
(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131523
(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132161
(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132034
(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131957
(1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol
CID 104869711
(1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol
CID 83131859

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol (CID 83132268) is (1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol is C#CCN(C)c1ccc([C@H](C)O)nc1.
What is the InChIKey of (1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol?
The InChIKey is FESJCDNEVSYZGO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-7-13(3)10-5-6-11(9(2)14)12-8-10/h1,5-6,8-9,14H,7H2,2-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol?
(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol has a molecular weight of 190.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83132268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).