N-ethenyl-N-ethylethanimidamide

C6H12N2 — CID 134603376

IUPACN-ethenyl-N-ethylethanimidamide
SMILES[H]/N=C(\C)N(C=C)CC
InChIInChI=1S/C6H12N2/c1-4-8(5-2)6(3)7/h4,7H,1,5H2,2-3H3/b7-6+
InChIKeyDVDJJJFKJYRZNM-VOTSOKGWSA-N
MW112.18 g/mol
LogP1.45
Rot. Bonds2

About N-ethenyl-N-ethylethanimidamide

N-ethenyl-N-ethylethanimidamide (PubChem CID 134603376) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-ethenyl-N-ethylethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N-ethylethanimidamide
PubChem CID134603376
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-ethenyl-N-ethylethanimidamide
SMILES[H]/N=C(\C)N(C=C)CC
InChIInChI=1S/C6H12N2/c1-4-8(5-2)6(3)7/h4,7H,1,5H2,2-3H3/b7-6+
InChIKeyDVDJJJFKJYRZNM-VOTSOKGWSA-N
XLogP1.45
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-ethylethanimidamide?
The IUPAC name of N-ethenyl-N-ethylethanimidamide (CID 134603376) is N-ethenyl-N-ethylethanimidamide.
What is the SMILES notation for N-ethenyl-N-ethylethanimidamide?
The canonical SMILES for N-ethenyl-N-ethylethanimidamide is [H]/N=C(\C)N(C=C)CC.
What is the InChIKey of N-ethenyl-N-ethylethanimidamide?
The InChIKey is DVDJJJFKJYRZNM-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-8(5-2)6(3)7/h4,7H,1,5H2,2-3H3/b7-6+.
What are the key properties of N-ethenyl-N-ethylethanimidamide?
N-ethenyl-N-ethylethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-ethylethanimidamide is sourced from PubChem (CID 134603376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).