4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol

C13H22N2O — CID 66002674

IUPAC4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol
SMILESCC(C)CNCCC(C)(O)c1cccnc1
InChIInChI=1S/C13H22N2O/c1-11(2)9-15-8-6-13(3,16)12-5-4-7-14-10-12/h4-5,7,10-11,15-16H,6,8-9H2,1-3H3
InChIKeyAGYOOTHCLVUVTL-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.92
Rot. Bonds6

About 4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol

4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol (PubChem CID 66002674) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol
PubChem CID66002674
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol
SMILESCC(C)CNCCC(C)(O)c1cccnc1
InChIInChI=1S/C13H22N2O/c1-11(2)9-15-8-6-13(3,16)12-5-4-7-14-10-12/h4-5,7,10-11,15-16H,6,8-9H2,1-3H3
InChIKeyAGYOOTHCLVUVTL-UHFFFAOYSA-N
XLogP1.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002281
4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol
CID 81221362
4-(2-methylpropylamino)-2-quinolin-8-ylbutan-2-ol
CID 81221214
4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol
CID 116546296
2-pyridin-3-ylhex-5-en-2-ol
CID 15642446
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003253
1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol
CID 66040374
2,8-dimethyl-5-pyridin-3-ylnonan-5-ol
CID 21420922
2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
CID 61001677
3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
tripyridin-3-ylmethanol
CID 177395677

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol?
The IUPAC name of 4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol (CID 66002674) is 4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol is CC(C)CNCCC(C)(O)c1cccnc1.
What is the InChIKey of 4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol?
The InChIKey is AGYOOTHCLVUVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)9-15-8-6-13(3,16)12-5-4-7-14-10-12/h4-5,7,10-11,15-16H,6,8-9H2,1-3H3.
What are the key properties of 4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol?
4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 66002674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).