3-(2,2-diethylhydrazinyl)propanenitrile

C7H15N3 — CID 172788770

IUPAC3-(2,2-diethylhydrazinyl)propanenitrile
SMILESCCN(CC)NCCC#N
InChIInChI=1S/C7H15N3/c1-3-10(4-2)9-7-5-6-8/h9H,3-5,7H2,1-2H3
InChIKeyPGQOCHDGNBLCAV-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.75
Rot. Bonds5

About 3-(2,2-diethylhydrazinyl)propanenitrile

3-(2,2-diethylhydrazinyl)propanenitrile (PubChem CID 172788770) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3-(2,2-diethylhydrazinyl)propanenitrile.

Molecular Properties

Compound Name3-(2,2-diethylhydrazinyl)propanenitrile
PubChem CID172788770
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3-(2,2-diethylhydrazinyl)propanenitrile
SMILESCCN(CC)NCCC#N
InChIInChI=1S/C7H15N3/c1-3-10(4-2)9-7-5-6-8/h9H,3-5,7H2,1-2H3
InChIKeyPGQOCHDGNBLCAV-UHFFFAOYSA-N
XLogP0.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile
CID 62639936
3-(2-propylhydrazinyl)propanenitrile
CID 88816637
3-(2-cyanoethylamino)propanenitrile
CID 160846337
3-[4-(diethylamino)anilino]propanenitrile
CID 39261332
3-(2,2-diethylhydrazinyl)propan-1-amine
CID 55290275
1-(2-cyanoethyl)-3-ethylurea
CID 60971056
3-[[(E)-2-(2-cyanoethylamino)ethenyl]amino]propanenitrile
CID 21115448
butanenitrile;ethane
CID 91457061
alumane;butanenitrile
CID 174728323
3-(3-methylbutan-2-ylamino)propanenitrile
CID 43183200
3-aminopropanenitrile;3-(methylamino)propanenitrile
CID 18629772
2-(2-cyanoethylamino)propanenitrile
CID 154209614

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diethylhydrazinyl)propanenitrile?
The IUPAC name of 3-(2,2-diethylhydrazinyl)propanenitrile (CID 172788770) is 3-(2,2-diethylhydrazinyl)propanenitrile.
What is the SMILES notation for 3-(2,2-diethylhydrazinyl)propanenitrile?
The canonical SMILES for 3-(2,2-diethylhydrazinyl)propanenitrile is CCN(CC)NCCC#N.
What is the InChIKey of 3-(2,2-diethylhydrazinyl)propanenitrile?
The InChIKey is PGQOCHDGNBLCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-3-10(4-2)9-7-5-6-8/h9H,3-5,7H2,1-2H3.
What are the key properties of 3-(2,2-diethylhydrazinyl)propanenitrile?
3-(2,2-diethylhydrazinyl)propanenitrile has a molecular weight of 141.22 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diethylhydrazinyl)propanenitrile is sourced from PubChem (CID 172788770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).