2-(2-cyanoethylamino)propanenitrile

C6H9N3 — CID 154209614

IUPAC2-(2-cyanoethylamino)propanenitrile
SMILESCC(C#N)NCCC#N
InChIInChI=1S/C6H9N3/c1-6(5-8)9-4-2-3-7/h6,9H,2,4H2,1H3
InChIKeyFKOZHBAYJMPGQC-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.40
Rot. Bonds3

About 2-(2-cyanoethylamino)propanenitrile

2-(2-cyanoethylamino)propanenitrile (PubChem CID 154209614) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 2-(2-cyanoethylamino)propanenitrile.

Molecular Properties

Compound Name2-(2-cyanoethylamino)propanenitrile
PubChem CID154209614
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name2-(2-cyanoethylamino)propanenitrile
SMILESCC(C#N)NCCC#N
InChIInChI=1S/C6H9N3/c1-6(5-8)9-4-2-3-7/h6,9H,2,4H2,1H3
InChIKeyFKOZHBAYJMPGQC-UHFFFAOYSA-N
XLogP0.40
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylbutan-2-ylamino)propanenitrile
CID 43183200
2-(3-aminopropylamino)propanenitrile
CID 62273858
2-(heptylamino)propanenitrile
CID 101282810
3-(5-methylhexan-2-ylamino)propanenitrile
CID 43183224
4-(but-3-yn-2-ylamino)butanenitrile
CID 114416582
(2S)-2-(2-cyanoethylamino)propanoic acid
CID 54110515
3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile
CID 43363289
2-[[(E)-hex-3-enyl]amino]propanenitrile
CID 101282802
(2S)-2-(2-cyanoethylamino)-3-methylbutanoic acid
CID 11665476
3-[(4-methoxy-4-methylpentan-2-yl)amino]propanenitrile
CID 43147229
3-(hex-5-en-2-ylamino)propanenitrile
CID 104655372
3-[[(1R)-1-cycloheptylethyl]amino]propanenitrile
CID 81393320

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoethylamino)propanenitrile?
The IUPAC name of 2-(2-cyanoethylamino)propanenitrile (CID 154209614) is 2-(2-cyanoethylamino)propanenitrile.
What is the SMILES notation for 2-(2-cyanoethylamino)propanenitrile?
The canonical SMILES for 2-(2-cyanoethylamino)propanenitrile is CC(C#N)NCCC#N.
What is the InChIKey of 2-(2-cyanoethylamino)propanenitrile?
The InChIKey is FKOZHBAYJMPGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-6(5-8)9-4-2-3-7/h6,9H,2,4H2,1H3.
What are the key properties of 2-(2-cyanoethylamino)propanenitrile?
2-(2-cyanoethylamino)propanenitrile has a molecular weight of 123.16 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoethylamino)propanenitrile is sourced from PubChem (CID 154209614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).