N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide

C9H17N3 — CID 130725795

IUPACN'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide
SMILESCC(C)C(C)(C#N)/N=C/N(C)C
InChIInChI=1S/C9H17N3/c1-8(2)9(3,6-10)11-7-12(4)5/h7-8H,1-5H3/b11-7+
InChIKeyFRNODWFQLCFINF-YRNVUSSQSA-N
MW167.26 g/mol
LogP1.51
Rot. Bonds3

About N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide

N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 130725795) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide
PubChem CID130725795
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide
SMILESCC(C)C(C)(C#N)/N=C/N(C)C
InChIInChI=1S/C9H17N3/c1-8(2)9(3,6-10)11-7-12(4)5/h7-8H,1-5H3/b11-7+
InChIKeyFRNODWFQLCFINF-YRNVUSSQSA-N
XLogP1.51
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide 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 N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide (CID 130725795) is N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide is CC(C)C(C)(C#N)/N=C/N(C)C.
What is the InChIKey of N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is FRNODWFQLCFINF-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(2)9(3,6-10)11-7-12(4)5/h7-8H,1-5H3/b11-7+.
What are the key properties of N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide?
N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyano-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 130725795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).