2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol

C9H16N2O — CID 163644502

IUPAC2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol
SMILESCN1C=C(C(C)(C)O)C=CC1N
InChIInChI=1S/C9H16N2O/c1-9(2,12)7-4-5-8(10)11(3)6-7/h4-6,8,12H,10H2,1-3H3
InChIKeyIHCACTQZDUPMRB-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.43
Rot. Bonds1

About 2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol

2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol (PubChem CID 163644502) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol
PubChem CID163644502
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol
SMILESCN1C=C(C(C)(C)O)C=CC1N
InChIInChI=1S/C9H16N2O/c1-9(2,12)7-4-5-8(10)11(3)6-7/h4-6,8,12H,10H2,1-3H3
InChIKeyIHCACTQZDUPMRB-UHFFFAOYSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-2H-pyridin-5-yl)propan-2-ol
CID 143131994
(Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol
CID 170279098
2-(1,2-Dihydropyridin-5-yl)propan-2-ol
CID 173120691

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol?
The IUPAC name of 2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol (CID 163644502) is 2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol.
What is the SMILES notation for 2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol?
The canonical SMILES for 2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol is CN1C=C(C(C)(C)O)C=CC1N.
What is the InChIKey of 2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol?
The InChIKey is IHCACTQZDUPMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2,12)7-4-5-8(10)11(3)6-7/h4-6,8,12H,10H2,1-3H3.
What are the key properties of 2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol?
2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-methyl-2H-pyridin-5-yl)propan-2-ol is sourced from PubChem (CID 163644502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).