2-(pyridin-2-ylamino)propan-2-ol

C8H12N2O — CID 91613794

IUPAC2-(pyridin-2-ylamino)propan-2-ol
SMILESCC(C)(O)Nc1ccccn1
InChIInChI=1S/C8H12N2O/c1-8(2,11)10-7-5-3-4-6-9-7/h3-6,11H,1-2H3,(H,9,10)
InChIKeyWUBWQHKQCXTYBM-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.22
Rot. Bonds2

About 2-(pyridin-2-ylamino)propan-2-ol

2-(pyridin-2-ylamino)propan-2-ol (PubChem CID 91613794) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(pyridin-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(pyridin-2-ylamino)propan-2-ol
PubChem CID91613794
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-(pyridin-2-ylamino)propan-2-ol
SMILESCC(C)(O)Nc1ccccn1
InChIInChI=1S/C8H12N2O/c1-8(2,11)10-7-5-3-4-6-9-7/h3-6,11H,1-2H3,(H,9,10)
InChIKeyWUBWQHKQCXTYBM-UHFFFAOYSA-N
XLogP1.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329310
methanol;N-methylpyridin-2-amine
CID 174971654
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol
CID 161335434
2,4-dimethyl-1-(pyridin-2-ylamino)pentan-2-ol
CID 66179990
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
N-(3,3-dimethylbutan-2-yl)pyridin-2-amine
CID 112704501
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
CID 115136447
2-N,2-dimethyl-1-N-pyridin-2-ylpropane-1,2-diamine
CID 115222058
N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine
CID 59533491
N-(2-methyl-2-phenylpropyl)pyridin-2-amine
CID 60970281

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylamino)propan-2-ol?
The IUPAC name of 2-(pyridin-2-ylamino)propan-2-ol (CID 91613794) is 2-(pyridin-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-(pyridin-2-ylamino)propan-2-ol?
The canonical SMILES for 2-(pyridin-2-ylamino)propan-2-ol is CC(C)(O)Nc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylamino)propan-2-ol?
The InChIKey is WUBWQHKQCXTYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8(2,11)10-7-5-3-4-6-9-7/h3-6,11H,1-2H3,(H,9,10).
What are the key properties of 2-(pyridin-2-ylamino)propan-2-ol?
2-(pyridin-2-ylamino)propan-2-ol has a molecular weight of 152.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylamino)propan-2-ol is sourced from PubChem (CID 91613794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).