1-butyl-2H-pyridine-2,6-diamine

C9H17N3 — CID 67573380

IUPAC1-butyl-2H-pyridine-2,6-diamine
SMILESCCCCN1C(N)=CC=CC1N
InChIInChI=1S/C9H17N3/c1-2-3-7-12-8(10)5-4-6-9(12)11/h4-6,8H,2-3,7,10-11H2,1H3
InChIKeyUZEUIALKWJETDV-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.74
Rot. Bonds3

About 1-butyl-2H-pyridine-2,6-diamine

1-butyl-2H-pyridine-2,6-diamine (PubChem CID 67573380) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-butyl-2H-pyridine-2,6-diamine.

Molecular Properties

Compound Name1-butyl-2H-pyridine-2,6-diamine
PubChem CID67573380
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-butyl-2H-pyridine-2,6-diamine
SMILESCCCCN1C(N)=CC=CC1N
InChIInChI=1S/C9H17N3/c1-2-3-7-12-8(10)5-4-6-9(12)11/h4-6,8H,2-3,7,10-11H2,1H3
InChIKeyUZEUIALKWJETDV-UHFFFAOYSA-N
XLogP0.74
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2H-pyridine-2,6-diamine?
The IUPAC name of 1-butyl-2H-pyridine-2,6-diamine (CID 67573380) is 1-butyl-2H-pyridine-2,6-diamine.
What is the SMILES notation for 1-butyl-2H-pyridine-2,6-diamine?
The canonical SMILES for 1-butyl-2H-pyridine-2,6-diamine is CCCCN1C(N)=CC=CC1N.
What is the InChIKey of 1-butyl-2H-pyridine-2,6-diamine?
The InChIKey is UZEUIALKWJETDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-2-3-7-12-8(10)5-4-6-9(12)11/h4-6,8H,2-3,7,10-11H2,1H3.
What are the key properties of 1-butyl-2H-pyridine-2,6-diamine?
1-butyl-2H-pyridine-2,6-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2H-pyridine-2,6-diamine is sourced from PubChem (CID 67573380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).