N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide

C9H18N2 — CID 155206522

IUPACN'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide
SMILESC/C(N)=N\C(C)=C(/C)C(C)C
InChIInChI=1S/C9H18N2/c1-6(2)7(3)8(4)11-9(5)10/h6H,1-5H3,(H2,10,11)/b8-7+
InChIKeyXKJNEQFCSVPJSR-BQYQJAHWSA-N
MW154.26 g/mol
LogP2.31
Rot. Bonds2

About N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide

N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide (PubChem CID 155206522) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide
PubChem CID155206522
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide
SMILESC/C(N)=N\C(C)=C(/C)C(C)C
InChIInChI=1S/C9H18N2/c1-6(2)7(3)8(4)11-9(5)10/h6H,1-5H3,(H2,10,11)/b8-7+
InChIKeyXKJNEQFCSVPJSR-BQYQJAHWSA-N
XLogP2.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.31
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'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide?
The IUPAC name of N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide (CID 155206522) is N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide?
The canonical SMILES for N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide is C/C(N)=N\C(C)=C(/C)C(C)C.
What is the InChIKey of N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide?
The InChIKey is XKJNEQFCSVPJSR-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(2)7(3)8(4)11-9(5)10/h6H,1-5H3,(H2,10,11)/b8-7+.
What are the key properties of N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide?
N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide is sourced from PubChem (CID 155206522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).