3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine

C11H16N2O — CID 131042784

IUPAC3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine
SMILESCc1cnc(NC2CCOC2)c(C)c1
InChIInChI=1S/C11H16N2O/c1-8-5-9(2)11(12-6-8)13-10-3-4-14-7-10/h5-6,10H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyWURGKLIKTFNEIP-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.90
Rot. Bonds2

About 3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine

3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine (PubChem CID 131042784) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine
PubChem CID131042784
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine
SMILESCc1cnc(NC2CCOC2)c(C)c1
InChIInChI=1S/C11H16N2O/c1-8-5-9(2)11(12-6-8)13-10-3-4-14-7-10/h5-6,10H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyWURGKLIKTFNEIP-UHFFFAOYSA-N
XLogP1.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine?
The IUPAC name of 3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine (CID 131042784) is 3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine is Cc1cnc(NC2CCOC2)c(C)c1.
What is the InChIKey of 3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine?
The InChIKey is WURGKLIKTFNEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-5-9(2)11(12-6-8)13-10-3-4-14-7-10/h5-6,10H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of 3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine?
3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine has a molecular weight of 192.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 131042784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).