2-[[(E)-hex-3-enyl]amino]propanenitrile

C9H16N2 — CID 101282802

IUPAC2-[[(E)-hex-3-enyl]amino]propanenitrile
SMILESCC/C=C/CCNC(C)C#N
InChIInChI=1S/C9H16N2/c1-3-4-5-6-7-11-9(2)8-10/h4-5,9,11H,3,6-7H2,1-2H3/b5-4+
InChIKeyIUPDOQZRUQZJJA-SNAWJCMRSA-N
MW152.24 g/mol
LogP1.84
Rot. Bonds5

About 2-[[(E)-hex-3-enyl]amino]propanenitrile

2-[[(E)-hex-3-enyl]amino]propanenitrile (PubChem CID 101282802) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-[[(E)-hex-3-enyl]amino]propanenitrile.

Molecular Properties

Compound Name2-[[(E)-hex-3-enyl]amino]propanenitrile
PubChem CID101282802
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-[[(E)-hex-3-enyl]amino]propanenitrile
SMILESCC/C=C/CCNC(C)C#N
InChIInChI=1S/C9H16N2/c1-3-4-5-6-7-11-9(2)8-10/h4-5,9,11H,3,6-7H2,1-2H3/b5-4+
InChIKeyIUPDOQZRUQZJJA-SNAWJCMRSA-N
XLogP1.84
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[(E)-non-3-enyl]amino]propanenitrile
CID 101282840
2-[[(E)-dec-5-enyl]amino]propanenitrile
CID 101282858
2-[[(E)-dec-4-enyl]amino]propanenitrile
CID 101282857
2-[[(E)-hept-2-enyl]amino]propanenitrile
CID 101282812
2-(2-cyanoethylamino)propanenitrile
CID 154209614
2-(heptylamino)propanenitrile
CID 101282810
(Z)-2-methylnon-6-enenitrile
CID 10773147
hex-3-ene;2-methylbutanenitrile
CID 159677833
2-[[(E)-but-2-enyl]amino]propanenitrile
CID 55286362
2-(3-aminopropylamino)propanenitrile
CID 62273858
hept-4-enenitrile
CID 54322660
2-(2-methylbutylamino)propanenitrile
CID 62692860

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-hex-3-enyl]amino]propanenitrile?
The IUPAC name of 2-[[(E)-hex-3-enyl]amino]propanenitrile (CID 101282802) is 2-[[(E)-hex-3-enyl]amino]propanenitrile.
What is the SMILES notation for 2-[[(E)-hex-3-enyl]amino]propanenitrile?
The canonical SMILES for 2-[[(E)-hex-3-enyl]amino]propanenitrile is CC/C=C/CCNC(C)C#N.
What is the InChIKey of 2-[[(E)-hex-3-enyl]amino]propanenitrile?
The InChIKey is IUPDOQZRUQZJJA-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-5-6-7-11-9(2)8-10/h4-5,9,11H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of 2-[[(E)-hex-3-enyl]amino]propanenitrile?
2-[[(E)-hex-3-enyl]amino]propanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-hex-3-enyl]amino]propanenitrile is sourced from PubChem (CID 101282802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).