5-propylpyridine-2,4-diamine

C8H13N3 — CID 57315909

IUPAC5-propylpyridine-2,4-diamine
SMILESCCCc1cnc(N)cc1N
InChIInChI=1S/C8H13N3/c1-2-3-6-5-11-8(10)4-7(6)9/h4-5H,2-3H2,1H3,(H4,9,10,11)
InChIKeyXWMWEIGZVPUKHF-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.20
Rot. Bonds2

About 5-propylpyridine-2,4-diamine

5-propylpyridine-2,4-diamine (PubChem CID 57315909) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name5-propylpyridine-2,4-diamine
PubChem CID57315909
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-propylpyridine-2,4-diamine
SMILESCCCc1cnc(N)cc1N
InChIInChI=1S/C8H13N3/c1-2-3-6-5-11-8(10)4-7(6)9/h4-5H,2-3H2,1H3,(H4,9,10,11)
InChIKeyXWMWEIGZVPUKHF-UHFFFAOYSA-N
XLogP1.20
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propylpyridine-2,4-diamine?
The IUPAC name of 5-propylpyridine-2,4-diamine (CID 57315909) is 5-propylpyridine-2,4-diamine.
What is the SMILES notation for 5-propylpyridine-2,4-diamine?
The canonical SMILES for 5-propylpyridine-2,4-diamine is CCCc1cnc(N)cc1N.
What is the InChIKey of 5-propylpyridine-2,4-diamine?
The InChIKey is XWMWEIGZVPUKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-3-6-5-11-8(10)4-7(6)9/h4-5H,2-3H2,1H3,(H4,9,10,11).
What are the key properties of 5-propylpyridine-2,4-diamine?
5-propylpyridine-2,4-diamine has a molecular weight of 151.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylpyridine-2,4-diamine is sourced from PubChem (CID 57315909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).