5-methyl-3-propyl-2H-pyridine-2,3-diamine

C9H17N3 — CID 137463873

IUPAC5-methyl-3-propyl-2H-pyridine-2,3-diamine
SMILESCCCC1(N)C=C(C)C=NC1N
InChIInChI=1S/C9H17N3/c1-3-4-9(11)5-7(2)6-12-8(9)10/h5-6,8H,3-4,10-11H2,1-2H3
InChIKeyHBVWHYJSOOZHPH-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.80
Rot. Bonds2

About 5-methyl-3-propyl-2H-pyridine-2,3-diamine

5-methyl-3-propyl-2H-pyridine-2,3-diamine (PubChem CID 137463873) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 5-methyl-3-propyl-2H-pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-3-propyl-2H-pyridine-2,3-diamine
PubChem CID137463873
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name5-methyl-3-propyl-2H-pyridine-2,3-diamine
SMILESCCCC1(N)C=C(C)C=NC1N
InChIInChI=1S/C9H17N3/c1-3-4-9(11)5-7(2)6-12-8(9)10/h5-6,8H,3-4,10-11H2,1-2H3
InChIKeyHBVWHYJSOOZHPH-UHFFFAOYSA-N
XLogP0.80
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propyl-2H-pyridine-2,3-diamine?
The IUPAC name of 5-methyl-3-propyl-2H-pyridine-2,3-diamine (CID 137463873) is 5-methyl-3-propyl-2H-pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-3-propyl-2H-pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-3-propyl-2H-pyridine-2,3-diamine is CCCC1(N)C=C(C)C=NC1N.
What is the InChIKey of 5-methyl-3-propyl-2H-pyridine-2,3-diamine?
The InChIKey is HBVWHYJSOOZHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-4-9(11)5-7(2)6-12-8(9)10/h5-6,8H,3-4,10-11H2,1-2H3.
What are the key properties of 5-methyl-3-propyl-2H-pyridine-2,3-diamine?
5-methyl-3-propyl-2H-pyridine-2,3-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propyl-2H-pyridine-2,3-diamine is sourced from PubChem (CID 137463873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).