3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine

C12H19N3O — CID 63726632

IUPAC3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCC1CCOCC1
InChIInChI=1S/C12H19N3O/c1-9-6-11(13)8-15-12(9)14-7-10-2-4-16-5-3-10/h6,8,10H,2-5,7,13H2,1H3,(H,14,15)
InChIKeyISQRVEZXYKPJIU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.81
Rot. Bonds3

About 3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine

3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine (PubChem CID 63726632) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
PubChem CID63726632
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCC1CCOCC1
InChIInChI=1S/C12H19N3O/c1-9-6-11(13)8-15-12(9)14-7-10-2-4-16-5-3-10/h6,8,10H,2-5,7,13H2,1H3,(H,14,15)
InChIKeyISQRVEZXYKPJIU-UHFFFAOYSA-N
XLogP1.81
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine (CID 63726632) is 3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine is Cc1cc(N)cnc1NCC1CCOCC1.
What is the InChIKey of 3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine?
The InChIKey is ISQRVEZXYKPJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-11(13)8-15-12(9)14-7-10-2-4-16-5-3-10/h6,8,10H,2-5,7,13H2,1H3,(H,14,15).
What are the key properties of 3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine?
3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 63726632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).