3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine

C11H17N3O — CID 106394504

IUPAC3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine
SMILESC=CCCOCCNc1cccnc1N
InChIInChI=1S/C11H17N3O/c1-2-3-8-15-9-7-13-10-5-4-6-14-11(10)12/h2,4-6,13H,1,3,7-9H2,(H2,12,14)
InChIKeyPAMSNDFALGQZHT-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.67
Rot. Bonds7

About 3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine

3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine (PubChem CID 106394504) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine
PubChem CID106394504
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine
SMILESC=CCCOCCNc1cccnc1N
InChIInChI=1S/C11H17N3O/c1-2-3-8-15-9-7-13-10-5-4-6-14-11(10)12/h2,4-6,13H,1,3,7-9H2,(H2,12,14)
InChIKeyPAMSNDFALGQZHT-UHFFFAOYSA-N
XLogP1.67
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-Diaminopyridine
CID 9956
2,5-Pyridinediamine
CID 20314
2-N-phenylpyridine-2,3-diamine
CID 10679091
2-((5-Nitro-2-pyridyl)amino)ethanol
CID 97005
2-((Pyridin-2-yl)amino)ethan-1-ol
CID 420844
2-N-methylpyridine-2,3-diamine
CID 12343669
1-(2-Methoxyethyl)-3-pyridin-2-ylthiourea
CID 1854097
2-(Piperazin-1-yl)pyridin-3-amine
CID 10397358
N-[3-(4-morpholinyl)propyl]-5-nitro-2-pyridinamine
CID 2848698
6-(Morpholino)pyridin-3-amine
CID 104059
3-Amino-2-morpholin-4-ylpyridine
CID 2776573
2-(2-Hydroxyethylamino)-pyridine hydrochloride
CID 2827516

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine (CID 106394504) is 3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine is C=CCCOCCNc1cccnc1N.
What is the InChIKey of 3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine?
The InChIKey is PAMSNDFALGQZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-8-15-9-7-13-10-5-4-6-14-11(10)12/h2,4-6,13H,1,3,7-9H2,(H2,12,14).
What are the key properties of 3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine?
3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine has a molecular weight of 207.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine is sourced from PubChem (CID 106394504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).