methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate

C10H18N2O — CID 156542257

IUPACmethyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate
SMILESC=C(/N=C/C(=N/C)OC)C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-8(10(2,3)4)12-7-9(11-5)13-6/h7H,1H2,2-6H3/b11-9-,12-7+
InChIKeyCXYRGUYYAXFOFM-UNXYAYAESA-N
MW182.27 g/mol
LogP2.29
Rot. Bonds2

About methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate

methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate (PubChem CID 156542257) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate.

Molecular Properties

Compound Namemethyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate
PubChem CID156542257
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Namemethyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate
SMILESC=C(/N=C/C(=N/C)OC)C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-8(10(2,3)4)12-7-9(11-5)13-6/h7H,1H2,2-6H3/b11-9-,12-7+
InChIKeyCXYRGUYYAXFOFM-UNXYAYAESA-N
XLogP2.29
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate 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 methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate?
The IUPAC name of methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate (CID 156542257) is methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate.
What is the SMILES notation for methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate?
The canonical SMILES for methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate is C=C(/N=C/C(=N/C)OC)C(C)(C)C.
What is the InChIKey of methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate?
The InChIKey is CXYRGUYYAXFOFM-UNXYAYAESA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(10(2,3)4)12-7-9(11-5)13-6/h7H,1H2,2-6H3/b11-9-,12-7+.
What are the key properties of methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate?
methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate has a molecular weight of 182.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate is sourced from PubChem (CID 156542257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).