N-ethenyl-N'-methyl-N-propan-2-ylethanimidamide

C8H16N2 — CID 154656281

IUPACN-ethenyl-N'-methyl-N-propan-2-ylethanimidamide
SMILESC=CN(/C(C)=N/C)C(C)C
InChIInChI=1S/C8H16N2/c1-6-10(7(2)3)8(4)9-5/h6-7H,1H2,2-5H3/b9-8+
InChIKeyLPOLIGZBTQUHDJ-CMDGGOBGSA-N
MW140.23 g/mol
LogP1.89
Rot. Bonds2

About N-ethenyl-N'-methyl-N-propan-2-ylethanimidamide

N-ethenyl-N'-methyl-N-propan-2-ylethanimidamide (PubChem CID 154656281) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-ethenyl-N'-methyl-N-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-methyl-N-propan-2-ylethanimidamide
PubChem CID154656281
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-ethenyl-N'-methyl-N-propan-2-ylethanimidamide
SMILESC=CN(/C(C)=N/C)C(C)C
InChIInChI=1S/C8H16N2/c1-6-10(7(2)3)8(4)9-5/h6-7H,1H2,2-5H3/b9-8+
InChIKeyLPOLIGZBTQUHDJ-CMDGGOBGSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.89
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'}

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Related Compounds

N'-ethenyl-2,2,2-trifluoro-N-methyl-N-propan-2-ylethanimidamide
CID 170067039
1,1-Di(propan-2-yl)imidazol-1-ium
CID 18407947
1-Ethenyl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium
CID 54244026
2,3-Di(propan-2-yl)-1,3,5-triazepine
CID 58762912
3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide;rubidium(1+)
CID 59339962
1,1-Di(propan-2-yl)imidazol-1-ium bromide
CID 66586947
1,1-Di(propan-2-yl)imidazol-1-ium;hydrochloride
CID 67050714
1-Ethyl-1,2-dimethylimidazol-1-ium
CID 67388276
1,1-Di(propan-2-yl)imidazol-1-ium chloride
CID 68424229
1-Butyl-1,2-dimethylimidazol-1-ium
CID 68720630
1-Butyl-1,2-dimethylimidazol-1-ium chloride
CID 70001096
2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium
CID 88544386

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-methyl-N-propan-2-ylethanimidamide?
The IUPAC name of N-ethenyl-N'-methyl-N-propan-2-ylethanimidamide (CID 154656281) is N-ethenyl-N'-methyl-N-propan-2-ylethanimidamide.
What is the SMILES notation for N-ethenyl-N'-methyl-N-propan-2-ylethanimidamide?
The canonical SMILES for N-ethenyl-N'-methyl-N-propan-2-ylethanimidamide is C=CN(/C(C)=N/C)C(C)C.
What is the InChIKey of N-ethenyl-N'-methyl-N-propan-2-ylethanimidamide?
The InChIKey is LPOLIGZBTQUHDJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-10(7(2)3)8(4)9-5/h6-7H,1H2,2-5H3/b9-8+.
What are the key properties of N-ethenyl-N'-methyl-N-propan-2-ylethanimidamide?
N-ethenyl-N'-methyl-N-propan-2-ylethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-methyl-N-propan-2-ylethanimidamide is sourced from PubChem (CID 154656281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).