[2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol

C9H16N2O — CID 86341532

IUPAC[2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol
SMILESCC(C)NC1C=CC(CO)=CN1
InChIInChI=1S/C9H16N2O/c1-7(2)11-9-4-3-8(6-12)5-10-9/h3-5,7,9-12H,6H2,1-2H3
InChIKeyLNQQSRJYPCUPTL-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.35
Rot. Bonds3

About [2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol

[2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol (PubChem CID 86341532) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is [2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol.

Molecular Properties

Compound Name[2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol
PubChem CID86341532
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name[2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol
SMILESCC(C)NC1C=CC(CO)=CN1
InChIInChI=1S/C9H16N2O/c1-7(2)11-9-4-3-8(6-12)5-10-9/h3-5,7,9-12H,6H2,1-2H3
InChIKeyLNQQSRJYPCUPTL-UHFFFAOYSA-N
XLogP0.35
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol
CID 89154009
Amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol
CID 129199789
[2-(Dimethylamino)-1,2-dihydropyridin-5-yl]methanol
CID 86341148
(6-Amino-2-methyl-1,2-dihydropyridin-5-yl)methanol
CID 86341715
(2-Methyl-1,2-dihydropyridin-5-yl)methanol
CID 143687161

Frequently Asked Questions

What is the IUPAC name of [2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol?
The IUPAC name of [2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol (CID 86341532) is [2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol.
What is the SMILES notation for [2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol?
The canonical SMILES for [2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol is CC(C)NC1C=CC(CO)=CN1.
What is the InChIKey of [2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol?
The InChIKey is LNQQSRJYPCUPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)11-9-4-3-8(6-12)5-10-9/h3-5,7,9-12H,6H2,1-2H3.
What are the key properties of [2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol?
[2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol has a molecular weight of 168.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propan-2-ylamino)-1,2-dihydropyridin-5-yl]methanol is sourced from PubChem (CID 86341532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).