2-[[(E)-hept-2-enyl]amino]propanenitrile

C10H18N2 — CID 101282812

IUPAC2-[[(E)-hept-2-enyl]amino]propanenitrile
SMILESCCCC/C=C/CNC(C)C#N
InChIInChI=1S/C10H18N2/c1-3-4-5-6-7-8-12-10(2)9-11/h6-7,10,12H,3-5,8H2,1-2H3/b7-6+
InChIKeyYJDFQHFPQGANIJ-VOTSOKGWSA-N
MW166.27 g/mol
LogP2.23
Rot. Bonds6

About 2-[[(E)-hept-2-enyl]amino]propanenitrile

2-[[(E)-hept-2-enyl]amino]propanenitrile (PubChem CID 101282812) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-[[(E)-hept-2-enyl]amino]propanenitrile.

Molecular Properties

Compound Name2-[[(E)-hept-2-enyl]amino]propanenitrile
PubChem CID101282812
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-[[(E)-hept-2-enyl]amino]propanenitrile
SMILESCCCC/C=C/CNC(C)C#N
InChIInChI=1S/C10H18N2/c1-3-4-5-6-7-8-12-10(2)9-11/h6-7,10,12H,3-5,8H2,1-2H3/b7-6+
InChIKeyYJDFQHFPQGANIJ-VOTSOKGWSA-N
XLogP2.23
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.23
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)-dec-5-enyl]amino]propanenitrile
CID 101282858
2-[[(E)-non-3-enyl]amino]propanenitrile
CID 101282840
2-[[(E)-dec-4-enyl]amino]propanenitrile
CID 101282857
2-(heptylamino)propanenitrile
CID 101282810
(E)-(111C)non-4-enenitrile
CID 10103223
dec-5-ene;trihydrobromide
CID 175802238
N-[(E)-hept-2-enyl]formamide
CID 87925184
octadec-6-enenitrile
CID 54098739
2-methyltetracos-20-enenitrile
CID 175156352
(Z)-11-methyldodec-5-ene
CID 159147265
(E)-3-methylnon-4-ene
CID 13082837
(5E,7E,9E)-tetradeca-5,7,9-trienenitrile
CID 101282545

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-hept-2-enyl]amino]propanenitrile?
The IUPAC name of 2-[[(E)-hept-2-enyl]amino]propanenitrile (CID 101282812) is 2-[[(E)-hept-2-enyl]amino]propanenitrile.
What is the SMILES notation for 2-[[(E)-hept-2-enyl]amino]propanenitrile?
The canonical SMILES for 2-[[(E)-hept-2-enyl]amino]propanenitrile is CCCC/C=C/CNC(C)C#N.
What is the InChIKey of 2-[[(E)-hept-2-enyl]amino]propanenitrile?
The InChIKey is YJDFQHFPQGANIJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-5-6-7-8-12-10(2)9-11/h6-7,10,12H,3-5,8H2,1-2H3/b7-6+.
What are the key properties of 2-[[(E)-hept-2-enyl]amino]propanenitrile?
2-[[(E)-hept-2-enyl]amino]propanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-hept-2-enyl]amino]propanenitrile is sourced from PubChem (CID 101282812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).