5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol

C12H20N2O — CID 64718318

IUPAC5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol
SMILESCC(O)CC(C)(C)Cc1cccnc1N
InChIInChI=1S/C12H20N2O/c1-9(15)7-12(2,3)8-10-5-4-6-14-11(10)13/h4-6,9,15H,7-8H2,1-3H3,(H2,13,14)
InChIKeyPQWYGPXDZUMTTH-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.00
Rot. Bonds4

About 5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol

5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol (PubChem CID 64718318) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol
PubChem CID64718318
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol
SMILESCC(O)CC(C)(C)Cc1cccnc1N
InChIInChI=1S/C12H20N2O/c1-9(15)7-12(2,3)8-10-5-4-6-14-11(10)13/h4-6,9,15H,7-8H2,1-3H3,(H2,13,14)
InChIKeyPQWYGPXDZUMTTH-UHFFFAOYSA-N
XLogP2.00
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol?
The IUPAC name of 5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol (CID 64718318) is 5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol is CC(O)CC(C)(C)Cc1cccnc1N.
What is the InChIKey of 5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol?
The InChIKey is PQWYGPXDZUMTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(15)7-12(2,3)8-10-5-4-6-14-11(10)13/h4-6,9,15H,7-8H2,1-3H3,(H2,13,14).
What are the key properties of 5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol?
5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol has a molecular weight of 208.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 64718318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).