5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine

C14H22N2O — CID 103932306

IUPAC5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine
SMILESCc1cncc(NC2CCOC(C(C)C)C2)c1
InChIInChI=1S/C14H22N2O/c1-10(2)14-7-12(4-5-17-14)16-13-6-11(3)8-15-9-13/h6,8-10,12,14,16H,4-5,7H2,1-3H3
InChIKeyAKLHCKUPVCLTLS-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.01
Rot. Bonds3

About 5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine

5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine (PubChem CID 103932306) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine
PubChem CID103932306
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine
SMILESCc1cncc(NC2CCOC(C(C)C)C2)c1
InChIInChI=1S/C14H22N2O/c1-10(2)14-7-12(4-5-17-14)16-13-6-11(3)8-15-9-13/h6,8-10,12,14,16H,4-5,7H2,1-3H3
InChIKeyAKLHCKUPVCLTLS-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine?
The IUPAC name of 5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine (CID 103932306) is 5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine.
What is the SMILES notation for 5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine?
The canonical SMILES for 5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine is Cc1cncc(NC2CCOC(C(C)C)C2)c1.
What is the InChIKey of 5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine?
The InChIKey is AKLHCKUPVCLTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)14-7-12(4-5-17-14)16-13-6-11(3)8-15-9-13/h6,8-10,12,14,16H,4-5,7H2,1-3H3.
What are the key properties of 5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine?
5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-propan-2-yloxan-4-yl)pyridin-3-amine is sourced from PubChem (CID 103932306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).