2-[[(E)-dec-5-enyl]amino]propanenitrile

C13H24N2 — CID 101282858

IUPAC2-[[(E)-dec-5-enyl]amino]propanenitrile
SMILESCCCC/C=C/CCCCNC(C)C#N
InChIInChI=1S/C13H24N2/c1-3-4-5-6-7-8-9-10-11-15-13(2)12-14/h6-7,13,15H,3-5,8-11H2,1-2H3/b7-6+
InChIKeyKXUDSRUVAOZIGK-VOTSOKGWSA-N
MW208.35 g/mol
LogP3.40
Rot. Bonds9

About 2-[[(E)-dec-5-enyl]amino]propanenitrile

2-[[(E)-dec-5-enyl]amino]propanenitrile (PubChem CID 101282858) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-[[(E)-dec-5-enyl]amino]propanenitrile.

Molecular Properties

Compound Name2-[[(E)-dec-5-enyl]amino]propanenitrile
PubChem CID101282858
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-[[(E)-dec-5-enyl]amino]propanenitrile
SMILESCCCC/C=C/CCCCNC(C)C#N
InChIInChI=1S/C13H24N2/c1-3-4-5-6-7-8-9-10-11-15-13(2)12-14/h6-7,13,15H,3-5,8-11H2,1-2H3/b7-6+
InChIKeyKXUDSRUVAOZIGK-VOTSOKGWSA-N
XLogP3.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.40
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'}

Analyze 2-[[(E)-dec-5-enyl]amino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(E)-dec-4-enyl]amino]propanenitrile
CID 101282857
2-[[(E)-non-3-enyl]amino]propanenitrile
CID 101282840
2-[[(E)-hept-2-enyl]amino]propanenitrile
CID 101282812
2-(heptylamino)propanenitrile
CID 101282810
N-propan-2-yldodec-3-en-1-amine
CID 79592983
(2S)-4-methyl-2-N-[(Z)-octadec-9-enyl]pentane-1,2-diamine
CID 118235407
3-[[(Z)-octadec-9-enyl]amino]butanoic acid
CID 88624856
octadec-6-enenitrile
CID 54098739
docos-5-ene
CID 54227700
pentadeca-4,10-diene
CID 54306056
nonadec-5-ene
CID 543596
2-(2-cyanoethylamino)propanenitrile
CID 154209614

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-dec-5-enyl]amino]propanenitrile?
The IUPAC name of 2-[[(E)-dec-5-enyl]amino]propanenitrile (CID 101282858) is 2-[[(E)-dec-5-enyl]amino]propanenitrile.
What is the SMILES notation for 2-[[(E)-dec-5-enyl]amino]propanenitrile?
The canonical SMILES for 2-[[(E)-dec-5-enyl]amino]propanenitrile is CCCC/C=C/CCCCNC(C)C#N.
What is the InChIKey of 2-[[(E)-dec-5-enyl]amino]propanenitrile?
The InChIKey is KXUDSRUVAOZIGK-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-4-5-6-7-8-9-10-11-15-13(2)12-14/h6-7,13,15H,3-5,8-11H2,1-2H3/b7-6+.
What are the key properties of 2-[[(E)-dec-5-enyl]amino]propanenitrile?
2-[[(E)-dec-5-enyl]amino]propanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-dec-5-enyl]amino]propanenitrile is sourced from PubChem (CID 101282858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).