5-N-butyl-3-N-ethylpyridine-3,5-diamine

C11H19N3 — CID 104532629

IUPAC5-N-butyl-3-N-ethylpyridine-3,5-diamine
SMILESCCCCNc1cncc(NCC)c1
InChIInChI=1S/C11H19N3/c1-3-5-6-14-11-7-10(13-4-2)8-12-9-11/h7-9,13-14H,3-6H2,1-2H3
InChIKeyGVZHCUPZRUNJAJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.73
Rot. Bonds6

About 5-N-butyl-3-N-ethylpyridine-3,5-diamine

5-N-butyl-3-N-ethylpyridine-3,5-diamine (PubChem CID 104532629) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-N-butyl-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-butyl-3-N-ethylpyridine-3,5-diamine
PubChem CID104532629
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-N-butyl-3-N-ethylpyridine-3,5-diamine
SMILESCCCCNc1cncc(NCC)c1
InChIInChI=1S/C11H19N3/c1-3-5-6-14-11-7-10(13-4-2)8-12-9-11/h7-9,13-14H,3-6H2,1-2H3
InChIKeyGVZHCUPZRUNJAJ-UHFFFAOYSA-N
XLogP2.73
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine
CID 104534461
N-butylpyrimidin-5-amine
CID 54172306
3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine
CID 114112659
5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine
CID 104535385
5-N-decylpyridine-3,5-diamine
CID 104535317
5-bromo-N-hexylpyridin-3-amine
CID 115656852
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
N-ethyl-5-octoxypyridin-3-amine
CID 113424296
3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine
CID 113423980
3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine
CID 104533940
5-N-ethylpyridine-3,5-diamine
CID 104532571
5-(butylamino)-N,N-dipropylpyridine-3-carboxamide
CID 109224616

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-butyl-3-N-ethylpyridine-3,5-diamine (CID 104532629) is 5-N-butyl-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-butyl-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-butyl-3-N-ethylpyridine-3,5-diamine is CCCCNc1cncc(NCC)c1.
What is the InChIKey of 5-N-butyl-3-N-ethylpyridine-3,5-diamine?
The InChIKey is GVZHCUPZRUNJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-5-6-14-11-7-10(13-4-2)8-12-9-11/h7-9,13-14H,3-6H2,1-2H3.
What are the key properties of 5-N-butyl-3-N-ethylpyridine-3,5-diamine?
5-N-butyl-3-N-ethylpyridine-3,5-diamine has a molecular weight of 193.29 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 104532629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).