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

C9H17N3O — CID 67535953

IUPAC1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine
SMILESCOCC(C)N1C=C(N)C=CC1N
InChIInChI=1S/C9H17N3O/c1-7(6-13-2)12-5-8(10)3-4-9(12)11/h3-5,7,9H,6,10-11H2,1-2H3
InChIKeyXSRUQJMXLGCBRY-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.02
Rot. Bonds3

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

1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine (PubChem CID 67535953) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine
PubChem CID67535953
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine
SMILESCOCC(C)N1C=C(N)C=CC1N
InChIInChI=1S/C9H17N3O/c1-7(6-13-2)12-5-8(10)3-4-9(12)11/h3-5,7,9H,6,10-11H2,1-2H3
InChIKeyXSRUQJMXLGCBRY-UHFFFAOYSA-N
XLogP-0.02
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine (CID 67535953) is 1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine is COCC(C)N1C=C(N)C=CC1N.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine?
The InChIKey is XSRUQJMXLGCBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(6-13-2)12-5-8(10)3-4-9(12)11/h3-5,7,9H,6,10-11H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine?
1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine has a molecular weight of 183.25 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2H-pyridine-2,5-diamine is sourced from PubChem (CID 67535953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).