N'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide

C9H18N2 — CID 138630855

IUPACN'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide
SMILESC/N=C/N/C=C(\C)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-8(9(2,3)4)6-11-7-10-5/h6-7H,1-5H3,(H,10,11)/b8-6+
InChIKeyWBUMSUIBXWOXQJ-SOFGYWHQSA-N
MW154.26 g/mol
LogP2.18
Rot. Bonds2

About N'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide

N'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide (PubChem CID 138630855) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide
PubChem CID138630855
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide
SMILESC/N=C/N/C=C(\C)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-8(9(2,3)4)6-11-7-10-5/h6-7H,1-5H3,(H,10,11)/b8-6+
InChIKeyWBUMSUIBXWOXQJ-SOFGYWHQSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide 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'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide?
The IUPAC name of N'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide (CID 138630855) is N'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide is C/N=C/N/C=C(\C)C(C)(C)C.
What is the InChIKey of N'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide?
The InChIKey is WBUMSUIBXWOXQJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(9(2,3)4)6-11-7-10-5/h6-7H,1-5H3,(H,10,11)/b8-6+.
What are the key properties of N'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide?
N'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidamide is sourced from PubChem (CID 138630855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).