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

C10H18N2 — CID 88565109

IUPAC(E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide
SMILESC=C/N=C(N)/C=C(\C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-12-9(11)7-8(2)10(3,4)5/h6-7H,1H2,2-5H3,(H2,11,12)/b8-7+
InChIKeyMUKKEBGWLKXKAO-BQYQJAHWSA-N
MW166.27 g/mol
LogP2.48
Rot. Bonds2

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

(E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide (PubChem CID 88565109) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide
PubChem CID88565109
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide
SMILESC=C/N=C(N)/C=C(\C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-12-9(11)7-8(2)10(3,4)5/h6-7H,1H2,2-5H3,(H2,11,12)/b8-7+
InChIKeyMUKKEBGWLKXKAO-BQYQJAHWSA-N
XLogP2.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.48
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-3,4,4-trimethylpent-2-enimidamide?
The IUPAC name of (E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide (CID 88565109) is (E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide.
What is the SMILES notation for (E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide?
The canonical SMILES for (E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide is C=C/N=C(N)/C=C(\C)C(C)(C)C.
What is the InChIKey of (E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide?
The InChIKey is MUKKEBGWLKXKAO-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-12-9(11)7-8(2)10(3,4)5/h6-7H,1H2,2-5H3,(H2,11,12)/b8-7+.
What are the key properties of (E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide?
(E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide is sourced from PubChem (CID 88565109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).