6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine

C16H25N3O — CID 115320849

IUPAC6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC2C3(C)CCC(C3)C2(C)C)n1
InChIInChI=1S/C16H25N3O/c1-15(2)10-7-8-16(3,9-10)14(15)19-13-11(17)5-6-12(18-13)20-4/h5-6,10,14H,7-9,17H2,1-4H3,(H,18,19)
InChIKeyFBPXCAWHHBPVBK-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.30
Rot. Bonds3

About 6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine

6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine (PubChem CID 115320849) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
PubChem CID115320849
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC2C3(C)CCC(C3)C2(C)C)n1
InChIInChI=1S/C16H25N3O/c1-15(2)10-7-8-16(3,9-10)14(15)19-13-11(17)5-6-12(18-13)20-4/h5-6,10,14H,7-9,17H2,1-4H3,(H,18,19)
InChIKeyFBPXCAWHHBPVBK-UHFFFAOYSA-N
XLogP3.30
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine (CID 115320849) is 6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine is COc1ccc(N)c(NC2C3(C)CCC(C3)C2(C)C)n1.
What is the InChIKey of 6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine?
The InChIKey is FBPXCAWHHBPVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-15(2)10-7-8-16(3,9-10)14(15)19-13-11(17)5-6-12(18-13)20-4/h5-6,10,14H,7-9,17H2,1-4H3,(H,18,19).
What are the key properties of 6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine?
6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine has a molecular weight of 275.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine is sourced from PubChem (CID 115320849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).