3-(1-methoxypropan-2-yl)pyridine-2,5-diamine

C9H15N3O — CID 67535620

IUPAC3-(1-methoxypropan-2-yl)pyridine-2,5-diamine
SMILESCOCC(C)c1cc(N)cnc1N
InChIInChI=1S/C9H15N3O/c1-6(5-13-2)8-3-7(10)4-12-9(8)11/h3-4,6H,5,10H2,1-2H3,(H2,11,12)
InChIKeyFKPQSEHQWNLUSG-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.00
Rot. Bonds3

About 3-(1-methoxypropan-2-yl)pyridine-2,5-diamine

3-(1-methoxypropan-2-yl)pyridine-2,5-diamine (PubChem CID 67535620) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yl)pyridine-2,5-diamine
PubChem CID67535620
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(1-methoxypropan-2-yl)pyridine-2,5-diamine
SMILESCOCC(C)c1cc(N)cnc1N
InChIInChI=1S/C9H15N3O/c1-6(5-13-2)8-3-7(10)4-12-9(8)11/h3-4,6H,5,10H2,1-2H3,(H2,11,12)
InChIKeyFKPQSEHQWNLUSG-UHFFFAOYSA-N
XLogP1.00
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yl)pyridine-2,5-diamine?
The IUPAC name of 3-(1-methoxypropan-2-yl)pyridine-2,5-diamine (CID 67535620) is 3-(1-methoxypropan-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-(1-methoxypropan-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-(1-methoxypropan-2-yl)pyridine-2,5-diamine is COCC(C)c1cc(N)cnc1N.
What is the InChIKey of 3-(1-methoxypropan-2-yl)pyridine-2,5-diamine?
The InChIKey is FKPQSEHQWNLUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(5-13-2)8-3-7(10)4-12-9(8)11/h3-4,6H,5,10H2,1-2H3,(H2,11,12).
What are the key properties of 3-(1-methoxypropan-2-yl)pyridine-2,5-diamine?
3-(1-methoxypropan-2-yl)pyridine-2,5-diamine has a molecular weight of 181.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 67535620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).