3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol

C10H16N2O — CID 119031821

IUPAC3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol
SMILESCC(C)(CO)C(N)c1cccnc1
InChIInChI=1S/C10H16N2O/c1-10(2,7-13)9(11)8-4-3-5-12-6-8/h3-6,9,13H,7,11H2,1-2H3
InChIKeyWFQCDTHCUPNKSZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.10
Rot. Bonds3

About 3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol

3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol (PubChem CID 119031821) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol
PubChem CID119031821
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol
SMILESCC(C)(CO)C(N)c1cccnc1
InChIInChI=1S/C10H16N2O/c1-10(2,7-13)9(11)8-4-3-5-12-6-8/h3-6,9,13H,7,11H2,1-2H3
InChIKeyWFQCDTHCUPNKSZ-UHFFFAOYSA-N
XLogP1.10
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol?
The IUPAC name of 3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol (CID 119031821) is 3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol is CC(C)(CO)C(N)c1cccnc1.
What is the InChIKey of 3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol?
The InChIKey is WFQCDTHCUPNKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,7-13)9(11)8-4-3-5-12-6-8/h3-6,9,13H,7,11H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol?
3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-3-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 119031821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).