8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine

C14H21N3O2 — CID 106660889

IUPAC8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESCOc1cnc(C)cc1NC1C(N)C2CCCOC21
InChIInChI=1S/C14H21N3O2/c1-8-6-10(11(18-2)7-16-8)17-13-12(15)9-4-3-5-19-14(9)13/h6-7,9,12-14H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyHDXAIBUBXFCYJW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.32
Rot. Bonds3

About 8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine

8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine (PubChem CID 106660889) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine.

Molecular Properties

Compound Name8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
PubChem CID106660889
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESCOc1cnc(C)cc1NC1C(N)C2CCCOC21
InChIInChI=1S/C14H21N3O2/c1-8-6-10(11(18-2)7-16-8)17-13-12(15)9-4-3-5-19-14(9)13/h6-7,9,12-14H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyHDXAIBUBXFCYJW-UHFFFAOYSA-N
XLogP1.32
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The IUPAC name of 8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine (CID 106660889) is 8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine.
What is the SMILES notation for 8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The canonical SMILES for 8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine is COc1cnc(C)cc1NC1C(N)C2CCCOC21.
What is the InChIKey of 8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The InChIKey is HDXAIBUBXFCYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8-6-10(11(18-2)7-16-8)17-13-12(15)9-4-3-5-19-14(9)13/h6-7,9,12-14H,3-5,15H2,1-2H3,(H,16,17).
What are the key properties of 8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine has a molecular weight of 263.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine is sourced from PubChem (CID 106660889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).