N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide

C8H14N2 — CID 123751931

IUPACN'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C=CC(C)(C)C
InChIInChI=1S/C8H14N2/c1-8(2,3)5-6-10-7-9-4/h5-7H,4H2,1-3H3/b6-5?,10-7+
InChIKeyCNEYFOJSMOLPBV-JDVLXEGBSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds2

About N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide

N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide (PubChem CID 123751931) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide
PubChem CID123751931
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C=CC(C)(C)C
InChIInChI=1S/C8H14N2/c1-8(2,3)5-6-10-7-9-4/h5-7H,4H2,1-3H3/b6-5?,10-7+
InChIKeyCNEYFOJSMOLPBV-JDVLXEGBSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
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'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide 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'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide?
The IUPAC name of N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide (CID 123751931) is N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide.
What is the SMILES notation for N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide?
The canonical SMILES for N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide is C=N/C=N/C=CC(C)(C)C.
What is the InChIKey of N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide?
The InChIKey is CNEYFOJSMOLPBV-JDVLXEGBSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2,3)5-6-10-7-9-4/h5-7H,4H2,1-3H3/b6-5?,10-7+.
What are the key properties of N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide?
N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide is sourced from PubChem (CID 123751931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).