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'}

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Related Compounds

CID 153340079
CID 153340079
N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane
CID 144648638
methyl N-tert-butyl-2-oxoethanimidate
CID 147551199
methyl N-prop-1-en-2-ylprop-2-enimidate
CID 143198222
(Z)-N,2,2,7,7-pentamethyl-6-methylideneoct-4-en-3-imine
CID 169243501
3-(2-bromoprop-2-enylideneamino)-2,2-dimethylbut-3-enenitrile
CID 144556556
N-tert-butyl-2-methylprop-2-en-1-imine
CID 10511180
CID 173290538
CID 173290538
methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate
CID 176972059
3-methoxy-2-methyliminobut-3-enal
CID 170587442
(3Z)-3-tert-butyl-5-methoxyhexa-1,3,5-trien-2-ol
CID 143504031
2-methoxyprop-1-ene;2-methyl-2-prop-1-enoxypropane
CID 155414756

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).