2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol

C9H14N2O — CID 90104736

IUPAC2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(N)cn1
InChIInChI=1S/C9H14N2O/c1-9(2,6-12)8-4-3-7(10)5-11-8/h3-5,12H,6,10H2,1-2H3
InChIKeyVMGTVUPHYQWBGW-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.93
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol

2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol (PubChem CID 90104736) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol
PubChem CID90104736
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(N)cn1
InChIInChI=1S/C9H14N2O/c1-9(2,6-12)8-4-3-7(10)5-11-8/h3-5,12H,6,10H2,1-2H3
InChIKeyVMGTVUPHYQWBGW-UHFFFAOYSA-N
XLogP0.93
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol (CID 90104736) is 2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol is CC(C)(CO)c1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol?
The InChIKey is VMGTVUPHYQWBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2,6-12)8-4-3-7(10)5-11-8/h3-5,12H,6,10H2,1-2H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol?
2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-2-methylpropan-1-ol is sourced from PubChem (CID 90104736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).