2-ethyl-4-(methylideneamino)butanenitrile

C7H12N2 — CID 122461150

IUPAC2-ethyl-4-(methylideneamino)butanenitrile
SMILESC=NCCC(C#N)CC
InChIInChI=1S/C7H12N2/c1-3-7(6-8)4-5-9-2/h7H,2-5H2,1H3
InChIKeyFFUPTMDWDWAVGU-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.63
Rot. Bonds4

About 2-ethyl-4-(methylideneamino)butanenitrile

2-ethyl-4-(methylideneamino)butanenitrile (PubChem CID 122461150) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-ethyl-4-(methylideneamino)butanenitrile.

Molecular Properties

Compound Name2-ethyl-4-(methylideneamino)butanenitrile
PubChem CID122461150
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-ethyl-4-(methylideneamino)butanenitrile
SMILESC=NCCC(C#N)CC
InChIInChI=1S/C7H12N2/c1-3-7(6-8)4-5-9-2/h7H,2-5H2,1H3
InChIKeyFFUPTMDWDWAVGU-UHFFFAOYSA-N
XLogP1.63
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-ethyl-4-(methylideneamino)butanenitrile 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

4-(cyclopentylideneamino)-2-ethylbutanenitrile
CID 122461141
2-ethyloct-7-enenitrile
CID 87482647
2-ethylhept-6-ynenitrile
CID 25268245
decane-2,3,7-tricarbonitrile
CID 175423203
2-ethylhept-5-enenitrile
CID 123154860
2-ethylpentanenitrile;phosphoric acid;hydrate
CID 87127750
methyl 4-cyanohexanoate
CID 13096120
chloro 4-cyanohexanoate
CID 174347302
4-chloro-2-ethylpentanenitrile
CID 118459280
N-(2-ethylbut-3-ynyl)methanimine
CID 91539701
2-[[chloro(dimethyl)silyl]methyl]butanenitrile
CID 140812527
2-octyldodecanenitrile
CID 87721815

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(methylideneamino)butanenitrile?
The IUPAC name of 2-ethyl-4-(methylideneamino)butanenitrile (CID 122461150) is 2-ethyl-4-(methylideneamino)butanenitrile.
What is the SMILES notation for 2-ethyl-4-(methylideneamino)butanenitrile?
The canonical SMILES for 2-ethyl-4-(methylideneamino)butanenitrile is C=NCCC(C#N)CC.
What is the InChIKey of 2-ethyl-4-(methylideneamino)butanenitrile?
The InChIKey is FFUPTMDWDWAVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7(6-8)4-5-9-2/h7H,2-5H2,1H3.
What are the key properties of 2-ethyl-4-(methylideneamino)butanenitrile?
2-ethyl-4-(methylideneamino)butanenitrile has a molecular weight of 124.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(methylideneamino)butanenitrile is sourced from PubChem (CID 122461150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).