3-(2-methylidenenonylamino)propanenitrile

C13H24N2 — CID 163840487

IUPAC3-(2-methylidenenonylamino)propanenitrile
SMILESC=C(CCCCCCC)CNCCC#N
InChIInChI=1S/C13H24N2/c1-3-4-5-6-7-9-13(2)12-15-11-8-10-14/h15H,2-9,11-12H2,1H3
InChIKeyOLODRFLBIFGOKF-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.41
Rot. Bonds10

About 3-(2-methylidenenonylamino)propanenitrile

3-(2-methylidenenonylamino)propanenitrile (PubChem CID 163840487) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-(2-methylidenenonylamino)propanenitrile.

Molecular Properties

Compound Name3-(2-methylidenenonylamino)propanenitrile
PubChem CID163840487
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-(2-methylidenenonylamino)propanenitrile
SMILESC=C(CCCCCCC)CNCCC#N
InChIInChI=1S/C13H24N2/c1-3-4-5-6-7-9-13(2)12-15-11-8-10-14/h15H,2-9,11-12H2,1H3
InChIKeyOLODRFLBIFGOKF-UHFFFAOYSA-N
XLogP3.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.41
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 3-(2-methylidenenonylamino)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

8-methylidene-N-octyloctadecan-1-amine
CID 153397444
N-butyl-2-methylidenepentan-1-amine
CID 88829510
N-methyl-2-methylidenedecan-1-amine
CID 126493414
3-(2-methylidenenonoxy)propanenitrile
CID 156890401
6-methylidenetetradecane
CID 21477883
6-methylidenedodecane
CID 21453027
19-methylideneheptatriacontane;titanium
CID 174477367
4-(octylamino)butanenitrile
CID 78914352
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
3-methylidenedecane
CID 21453024
undecanenitrile
CID 16722

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylidenenonylamino)propanenitrile?
The IUPAC name of 3-(2-methylidenenonylamino)propanenitrile (CID 163840487) is 3-(2-methylidenenonylamino)propanenitrile.
What is the SMILES notation for 3-(2-methylidenenonylamino)propanenitrile?
The canonical SMILES for 3-(2-methylidenenonylamino)propanenitrile is C=C(CCCCCCC)CNCCC#N.
What is the InChIKey of 3-(2-methylidenenonylamino)propanenitrile?
The InChIKey is OLODRFLBIFGOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-4-5-6-7-9-13(2)12-15-11-8-10-14/h15H,2-9,11-12H2,1H3.
What are the key properties of 3-(2-methylidenenonylamino)propanenitrile?
3-(2-methylidenenonylamino)propanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidenenonylamino)propanenitrile is sourced from PubChem (CID 163840487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).