2-(dodecylamino)prop-2-enenitrile

C15H28N2 — CID 88843080

IUPAC2-(dodecylamino)prop-2-enenitrile
SMILESC=C(C#N)NCCCCCCCCCCCC
InChIInChI=1S/C15H28N2/c1-3-4-5-6-7-8-9-10-11-12-13-17-15(2)14-16/h17H,2-13H2,1H3
InChIKeyKMOIOLFRWUIHAR-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.53
Rot. Bonds12

About 2-(dodecylamino)prop-2-enenitrile

2-(dodecylamino)prop-2-enenitrile (PubChem CID 88843080) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-(dodecylamino)prop-2-enenitrile.

Molecular Properties

Compound Name2-(dodecylamino)prop-2-enenitrile
PubChem CID88843080
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-(dodecylamino)prop-2-enenitrile
SMILESC=C(C#N)NCCCCCCCCCCCC
InChIInChI=1S/C15H28N2/c1-3-4-5-6-7-8-9-10-11-12-13-17-15(2)14-16/h17H,2-13H2,1H3
InChIKeyKMOIOLFRWUIHAR-UHFFFAOYSA-N
XLogP4.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(dodecylamino)prop-2-enenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dodecylamino)prop-2-enenitrile?
The IUPAC name of 2-(dodecylamino)prop-2-enenitrile (CID 88843080) is 2-(dodecylamino)prop-2-enenitrile.
What is the SMILES notation for 2-(dodecylamino)prop-2-enenitrile?
The canonical SMILES for 2-(dodecylamino)prop-2-enenitrile is C=C(C#N)NCCCCCCCCCCCC.
What is the InChIKey of 2-(dodecylamino)prop-2-enenitrile?
The InChIKey is KMOIOLFRWUIHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-4-5-6-7-8-9-10-11-12-13-17-15(2)14-16/h17H,2-13H2,1H3.
What are the key properties of 2-(dodecylamino)prop-2-enenitrile?
2-(dodecylamino)prop-2-enenitrile has a molecular weight of 236.40 g/mol, XLogP of 4.53, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecylamino)prop-2-enenitrile is sourced from PubChem (CID 88843080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).