4-(2,2-dimethylpropoxy)pyridin-3-amine

C10H16N2O — CID 97181806

IUPAC4-(2,2-dimethylpropoxy)pyridin-3-amine
SMILESCC(C)(C)COc1ccncc1N
InChIInChI=1S/C10H16N2O/c1-10(2,3)7-13-9-4-5-12-6-8(9)11/h4-6H,7,11H2,1-3H3
InChIKeyLRMPQHMKPWWTGA-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.09
Rot. Bonds2

About 4-(2,2-dimethylpropoxy)pyridin-3-amine

4-(2,2-dimethylpropoxy)pyridin-3-amine (PubChem CID 97181806) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxy)pyridin-3-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxy)pyridin-3-amine
PubChem CID97181806
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(2,2-dimethylpropoxy)pyridin-3-amine
SMILESCC(C)(C)COc1ccncc1N
InChIInChI=1S/C10H16N2O/c1-10(2,3)7-13-9-4-5-12-6-8(9)11/h4-6H,7,11H2,1-3H3
InChIKeyLRMPQHMKPWWTGA-UHFFFAOYSA-N
XLogP2.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxy)pyridin-3-amine?
The IUPAC name of 4-(2,2-dimethylpropoxy)pyridin-3-amine (CID 97181806) is 4-(2,2-dimethylpropoxy)pyridin-3-amine.
What is the SMILES notation for 4-(2,2-dimethylpropoxy)pyridin-3-amine?
The canonical SMILES for 4-(2,2-dimethylpropoxy)pyridin-3-amine is CC(C)(C)COc1ccncc1N.
What is the InChIKey of 4-(2,2-dimethylpropoxy)pyridin-3-amine?
The InChIKey is LRMPQHMKPWWTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,3)7-13-9-4-5-12-6-8(9)11/h4-6H,7,11H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropoxy)pyridin-3-amine?
4-(2,2-dimethylpropoxy)pyridin-3-amine has a molecular weight of 180.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxy)pyridin-3-amine is sourced from PubChem (CID 97181806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).