(E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide

C10H18N2 — CID 166924746

IUPAC(E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide
SMILESC=CNC(/C=C(\C)C(C)C)=N\C
InChIInChI=1S/C10H18N2/c1-6-12-10(11-5)7-9(4)8(2)3/h6-8H,1H2,2-5H3,(H,11,12)/b9-7+
InChIKeyMVVVRPKAHZWFHF-VQHVLOKHSA-N
MW166.27 g/mol
LogP2.35
Rot. Bonds3

About (E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide

(E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide (PubChem CID 166924746) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide.

Molecular Properties

Compound Name(E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide
PubChem CID166924746
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide
SMILESC=CNC(/C=C(\C)C(C)C)=N\C
InChIInChI=1S/C10H18N2/c1-6-12-10(11-5)7-9(4)8(2)3/h6-8H,1H2,2-5H3,(H,11,12)/b9-7+
InChIKeyMVVVRPKAHZWFHF-VQHVLOKHSA-N
XLogP2.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.35
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 (E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide?
The IUPAC name of (E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide (CID 166924746) is (E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide.
What is the SMILES notation for (E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide?
The canonical SMILES for (E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide is C=CNC(/C=C(\C)C(C)C)=N\C.
What is the InChIKey of (E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide?
The InChIKey is MVVVRPKAHZWFHF-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-12-10(11-5)7-9(4)8(2)3/h6-8H,1H2,2-5H3,(H,11,12)/b9-7+.
What are the key properties of (E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide?
(E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-N',3,4-trimethylpent-2-enimidamide is sourced from PubChem (CID 166924746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).