6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine

C10H15N3O — CID 80646699

IUPAC6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine
SMILESNc1cccc(NCC2CCOC2)n1
InChIInChI=1S/C10H15N3O/c11-9-2-1-3-10(13-9)12-6-8-4-5-14-7-8/h1-3,8H,4-7H2,(H3,11,12,13)
InChIKeyXIHRGELGSKJKKY-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.11
Rot. Bonds3

About 6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine

6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine (PubChem CID 80646699) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine
PubChem CID80646699
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine
SMILESNc1cccc(NCC2CCOC2)n1
InChIInChI=1S/C10H15N3O/c11-9-2-1-3-10(13-9)12-6-8-4-5-14-7-8/h1-3,8H,4-7H2,(H3,11,12,13)
InChIKeyXIHRGELGSKJKKY-UHFFFAOYSA-N
XLogP1.11
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine (CID 80646699) is 6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine is Nc1cccc(NCC2CCOC2)n1.
What is the InChIKey of 6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine?
The InChIKey is XIHRGELGSKJKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-9-2-1-3-10(13-9)12-6-8-4-5-14-7-8/h1-3,8H,4-7H2,(H3,11,12,13).
What are the key properties of 6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine?
6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine has a molecular weight of 193.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80646699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).