2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide

C9H15N3 — CID 123441225

IUPAC2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide
SMILESCC(C)=C(C)/N=C(\N)C(C)C#N
InChIInChI=1S/C9H15N3/c1-6(2)8(4)12-9(11)7(3)5-10/h7H,1-4H3,(H2,11,12)
InChIKeyFIFDTQVWYTXEPD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.82
Rot. Bonds2

About 2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide

2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide (PubChem CID 123441225) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide.

Molecular Properties

Compound Name2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide
PubChem CID123441225
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide
SMILESCC(C)=C(C)/N=C(\N)C(C)C#N
InChIInChI=1S/C9H15N3/c1-6(2)8(4)12-9(11)7(3)5-10/h7H,1-4H3,(H2,11,12)
InChIKeyFIFDTQVWYTXEPD-UHFFFAOYSA-N
XLogP1.82
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide 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

5-amino-2-methyl-3,4-dioxohexanenitrile
CID 174439405
CID 169173500
CID 169173500
1-cyanoethylurea
CID 61124202
dicyanomethyl 2-cyanopropanoate
CID 87563787
[(2S)-1-(1-aminoethylideneamino)-1-oxopropan-2-yl] thiocyanate
CID 142354127
2-methylpropyl 2-cyanopropanoate
CID 53424522
cyanomethyl 2-cyanopropanoate
CID 162130339
2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide
CID 12707168
3-imino-2-methylbutanenitrile
CID 54304607
(Z)-4-cyano-2-methylpent-2-enamide
CID 141223606
2-(1-amino-2-methylpropylidene)propanedinitrile
CID 21426735
2-((15N)azanylidyne(113C)methyl)(13C)guanidine
CID 172880658

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide?
The IUPAC name of 2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide (CID 123441225) is 2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide.
What is the SMILES notation for 2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide?
The canonical SMILES for 2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide is CC(C)=C(C)/N=C(\N)C(C)C#N.
What is the InChIKey of 2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide?
The InChIKey is FIFDTQVWYTXEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6(2)8(4)12-9(11)7(3)5-10/h7H,1-4H3,(H2,11,12).
What are the key properties of 2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide?
2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide has a molecular weight of 165.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide is sourced from PubChem (CID 123441225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).