6-N-[(E)-but-2-enyl]pyridine-2,6-diamine

C9H13N3 — CID 131240121

IUPAC6-N-[(E)-but-2-enyl]pyridine-2,6-diamine
SMILESC/C=C/CNc1cccc(N)n1
InChIInChI=1S/C9H13N3/c1-2-3-7-11-9-6-4-5-8(10)12-9/h2-6H,7H2,1H3,(H3,10,11,12)/b3-2+
InChIKeyAZBZQHWCXZHFOO-NSCUHMNNSA-N
MW163.22 g/mol
LogP1.65
Rot. Bonds3

About 6-N-[(E)-but-2-enyl]pyridine-2,6-diamine

6-N-[(E)-but-2-enyl]pyridine-2,6-diamine (PubChem CID 131240121) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 6-N-[(E)-but-2-enyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(E)-but-2-enyl]pyridine-2,6-diamine
PubChem CID131240121
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name6-N-[(E)-but-2-enyl]pyridine-2,6-diamine
SMILESC/C=C/CNc1cccc(N)n1
InChIInChI=1S/C9H13N3/c1-2-3-7-11-9-6-4-5-8(10)12-9/h2-6H,7H2,1H3,(H3,10,11,12)/b3-2+
InChIKeyAZBZQHWCXZHFOO-NSCUHMNNSA-N
XLogP1.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Aminopyridine
CID 10439
2,6-Diaminopyridine
CID 8861
2-Amino-5-methylpyridine
CID 15348
2-Amino-6-methylpyridine
CID 15765
2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
N,N'-2,6-Pyridinediylbisacetamide
CID 95139
1-(2-Pyridyl)piperazine
CID 94459
1-(6-Chloro-2-pyridinyl)-4-piperidinamine
CID 131747
N-2-Pyridylaniline
CID 81130
2-Dimethylaminopyridine
CID 21885
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053

Frequently Asked Questions

What is the IUPAC name of 6-N-[(E)-but-2-enyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[(E)-but-2-enyl]pyridine-2,6-diamine (CID 131240121) is 6-N-[(E)-but-2-enyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(E)-but-2-enyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(E)-but-2-enyl]pyridine-2,6-diamine is C/C=C/CNc1cccc(N)n1.
What is the InChIKey of 6-N-[(E)-but-2-enyl]pyridine-2,6-diamine?
The InChIKey is AZBZQHWCXZHFOO-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-3-7-11-9-6-4-5-8(10)12-9/h2-6H,7H2,1H3,(H3,10,11,12)/b3-2+.
What are the key properties of 6-N-[(E)-but-2-enyl]pyridine-2,6-diamine?
6-N-[(E)-but-2-enyl]pyridine-2,6-diamine has a molecular weight of 163.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(E)-but-2-enyl]pyridine-2,6-diamine is sourced from PubChem (CID 131240121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).