4-(1-methoxybutan-2-yl)pyridine-2,3-diamine

C10H17N3O — CID 22052098

IUPAC4-(1-methoxybutan-2-yl)pyridine-2,3-diamine
SMILESCCC(COC)c1ccnc(N)c1N
InChIInChI=1S/C10H17N3O/c1-3-7(6-14-2)8-4-5-13-10(12)9(8)11/h4-5,7H,3,6,11H2,1-2H3,(H2,12,13)
InChIKeyYVYIPHRKUNREFO-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.39
Rot. Bonds4

About 4-(1-methoxybutan-2-yl)pyridine-2,3-diamine

4-(1-methoxybutan-2-yl)pyridine-2,3-diamine (PubChem CID 22052098) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(1-methoxybutan-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name4-(1-methoxybutan-2-yl)pyridine-2,3-diamine
PubChem CID22052098
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(1-methoxybutan-2-yl)pyridine-2,3-diamine
SMILESCCC(COC)c1ccnc(N)c1N
InChIInChI=1S/C10H17N3O/c1-3-7(6-14-2)8-4-5-13-10(12)9(8)11/h4-5,7H,3,6,11H2,1-2H3,(H2,12,13)
InChIKeyYVYIPHRKUNREFO-UHFFFAOYSA-N
XLogP1.39
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxybutan-2-yl)pyridine-2,3-diamine?
The IUPAC name of 4-(1-methoxybutan-2-yl)pyridine-2,3-diamine (CID 22052098) is 4-(1-methoxybutan-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 4-(1-methoxybutan-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 4-(1-methoxybutan-2-yl)pyridine-2,3-diamine is CCC(COC)c1ccnc(N)c1N.
What is the InChIKey of 4-(1-methoxybutan-2-yl)pyridine-2,3-diamine?
The InChIKey is YVYIPHRKUNREFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-7(6-14-2)8-4-5-13-10(12)9(8)11/h4-5,7H,3,6,11H2,1-2H3,(H2,12,13).
What are the key properties of 4-(1-methoxybutan-2-yl)pyridine-2,3-diamine?
4-(1-methoxybutan-2-yl)pyridine-2,3-diamine has a molecular weight of 195.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxybutan-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 22052098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).