2-methylimino-N'-(2-methylpropyl)but-3-enimidamide

C9H17N3 — CID 123319320

IUPAC2-methylimino-N'-(2-methylpropyl)but-3-enimidamide
SMILESC=CC(=N\C)/C(N)=N/CC(C)C
InChIInChI=1S/C9H17N3/c1-5-8(11-4)9(10)12-6-7(2)3/h5,7H,1,6H2,2-4H3,(H2,10,12)/b11-8+
InChIKeyIIILAFBKHNDWKG-DHZHZOJOSA-N
MW167.26 g/mol
LogP1.26
Rot. Bonds4

About 2-methylimino-N'-(2-methylpropyl)but-3-enimidamide

2-methylimino-N'-(2-methylpropyl)but-3-enimidamide (PubChem CID 123319320) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-methylimino-N'-(2-methylpropyl)but-3-enimidamide.

Molecular Properties

Compound Name2-methylimino-N'-(2-methylpropyl)but-3-enimidamide
PubChem CID123319320
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-methylimino-N'-(2-methylpropyl)but-3-enimidamide
SMILESC=CC(=N\C)/C(N)=N/CC(C)C
InChIInChI=1S/C9H17N3/c1-5-8(11-4)9(10)12-6-7(2)3/h5,7H,1,6H2,2-4H3,(H2,10,12)/b11-8+
InChIKeyIIILAFBKHNDWKG-DHZHZOJOSA-N
XLogP1.26
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.26
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-methylimino-N'-(2-methylpropyl)but-3-enimidamide 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-methylimino-N'-(2-methylpropyl)but-3-enimidamide?
The IUPAC name of 2-methylimino-N'-(2-methylpropyl)but-3-enimidamide (CID 123319320) is 2-methylimino-N'-(2-methylpropyl)but-3-enimidamide.
What is the SMILES notation for 2-methylimino-N'-(2-methylpropyl)but-3-enimidamide?
The canonical SMILES for 2-methylimino-N'-(2-methylpropyl)but-3-enimidamide is C=CC(=N\C)/C(N)=N/CC(C)C.
What is the InChIKey of 2-methylimino-N'-(2-methylpropyl)but-3-enimidamide?
The InChIKey is IIILAFBKHNDWKG-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-8(11-4)9(10)12-6-7(2)3/h5,7H,1,6H2,2-4H3,(H2,10,12)/b11-8+.
What are the key properties of 2-methylimino-N'-(2-methylpropyl)but-3-enimidamide?
2-methylimino-N'-(2-methylpropyl)but-3-enimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-N'-(2-methylpropyl)but-3-enimidamide is sourced from PubChem (CID 123319320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).