4-butan-2-ylpyridine-2,3-diamine

C9H15N3 — CID 175182735

IUPAC4-butan-2-ylpyridine-2,3-diamine
SMILESCCC(C)c1ccnc(N)c1N
InChIInChI=1S/C9H15N3/c1-3-6(2)7-4-5-12-9(11)8(7)10/h4-6H,3,10H2,1-2H3,(H2,11,12)
InChIKeyLTDUHWMFAWGOSX-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.76
Rot. Bonds2

About 4-butan-2-ylpyridine-2,3-diamine

4-butan-2-ylpyridine-2,3-diamine (PubChem CID 175182735) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-butan-2-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name4-butan-2-ylpyridine-2,3-diamine
PubChem CID175182735
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-butan-2-ylpyridine-2,3-diamine
SMILESCCC(C)c1ccnc(N)c1N
InChIInChI=1S/C9H15N3/c1-3-6(2)7-4-5-12-9(11)8(7)10/h4-6H,3,10H2,1-2H3,(H2,11,12)
InChIKeyLTDUHWMFAWGOSX-UHFFFAOYSA-N
XLogP1.76
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylpyridine-2,3-diamine?
The IUPAC name of 4-butan-2-ylpyridine-2,3-diamine (CID 175182735) is 4-butan-2-ylpyridine-2,3-diamine.
What is the SMILES notation for 4-butan-2-ylpyridine-2,3-diamine?
The canonical SMILES for 4-butan-2-ylpyridine-2,3-diamine is CCC(C)c1ccnc(N)c1N.
What is the InChIKey of 4-butan-2-ylpyridine-2,3-diamine?
The InChIKey is LTDUHWMFAWGOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-6(2)7-4-5-12-9(11)8(7)10/h4-6H,3,10H2,1-2H3,(H2,11,12).
What are the key properties of 4-butan-2-ylpyridine-2,3-diamine?
4-butan-2-ylpyridine-2,3-diamine has a molecular weight of 165.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylpyridine-2,3-diamine is sourced from PubChem (CID 175182735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).