N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide

C10H18N2 — CID 163385818

IUPACN-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide
SMILESC=CN(CC)/C(C=C(C)C)=N/C
InChIInChI=1S/C10H18N2/c1-6-12(7-2)10(11-5)8-9(3)4/h6,8H,1,7H2,2-5H3/b11-10+
InChIKeyGXUYKWNLTIOEFC-ZHACJKMWSA-N
MW166.27 g/mol
LogP2.45
Rot. Bonds3

About N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide

N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide (PubChem CID 163385818) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide.

Molecular Properties

Compound NameN-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide
PubChem CID163385818
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide
SMILESC=CN(CC)/C(C=C(C)C)=N/C
InChIInChI=1S/C10H18N2/c1-6-12(7-2)10(11-5)8-9(3)4/h6,8H,1,7H2,2-5H3/b11-10+
InChIKeyGXUYKWNLTIOEFC-ZHACJKMWSA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide?
The IUPAC name of N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide (CID 163385818) is N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide.
What is the SMILES notation for N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide?
The canonical SMILES for N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide is C=CN(CC)/C(C=C(C)C)=N/C.
What is the InChIKey of N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide?
The InChIKey is GXUYKWNLTIOEFC-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-12(7-2)10(11-5)8-9(3)4/h6,8H,1,7H2,2-5H3/b11-10+.
What are the key properties of N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide?
N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide is sourced from PubChem (CID 163385818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).