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

C7H14N2 — CID 123229042

IUPACN-ethenyl-N'-propan-2-ylethanimidamide
SMILESC=CN/C(C)=N/C(C)C
InChIInChI=1S/C7H14N2/c1-5-8-7(4)9-6(2)3/h5-6H,1H2,2-4H3,(H,8,9)
InChIKeyLSXZJRJOWPHEES-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds2

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

N-ethenyl-N'-propan-2-ylethanimidamide (PubChem CID 123229042) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-ethenyl-N'-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-propan-2-ylethanimidamide
PubChem CID123229042
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-ethenyl-N'-propan-2-ylethanimidamide
SMILESC=CN/C(C)=N/C(C)C
InChIInChI=1S/C7H14N2/c1-5-8-7(4)9-6(2)3/h5-6H,1H2,2-4H3,(H,8,9)
InChIKeyLSXZJRJOWPHEES-UHFFFAOYSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.55
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'}

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Related Compounds

1,2-Dimethylimidazolium chloride
CID 66809752
N-ethenyl-N'-propan-2-ylcarbamimidoyl fluoride
CID 146392697
N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide
CID 167095335
2-methyl-1H-imidazol-1-ium
CID 19047642
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
N-ethenyl-N'-propan-2-ylmethanimidamide
CID 23558871
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
N-(ethenyliminomethyl)propan-2-amine;yttrium
CID 59037963
1-ethenyl-2-methyl-1H-imidazol-1-ium chloride
CID 66874945
1,2-dimethyl-1H-imidazol-1-ium iodide
CID 67060368
2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide
CID 69478128
1,2-dimethyl-1H-imidazol-1-ium bromide
CID 70301848

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-propan-2-ylethanimidamide?
The IUPAC name of N-ethenyl-N'-propan-2-ylethanimidamide (CID 123229042) is N-ethenyl-N'-propan-2-ylethanimidamide.
What is the SMILES notation for N-ethenyl-N'-propan-2-ylethanimidamide?
The canonical SMILES for N-ethenyl-N'-propan-2-ylethanimidamide is C=CN/C(C)=N/C(C)C.
What is the InChIKey of N-ethenyl-N'-propan-2-ylethanimidamide?
The InChIKey is LSXZJRJOWPHEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-8-7(4)9-6(2)3/h5-6H,1H2,2-4H3,(H,8,9).
What are the key properties of N-ethenyl-N'-propan-2-ylethanimidamide?
N-ethenyl-N'-propan-2-ylethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-propan-2-ylethanimidamide is sourced from PubChem (CID 123229042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).