N'-(4-methylpent-2-en-2-yl)ethanimidamide

C8H16N2 — CID 123304139

IUPACN'-(4-methylpent-2-en-2-yl)ethanimidamide
SMILESCC(=CC(C)C)/N=C(\C)N
InChIInChI=1S/C8H16N2/c1-6(2)5-7(3)10-8(4)9/h5-6H,1-4H3,(H2,9,10)
InChIKeyPJJRPBYCGUTDEI-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.92
Rot. Bonds2

About N'-(4-methylpent-2-en-2-yl)ethanimidamide

N'-(4-methylpent-2-en-2-yl)ethanimidamide (PubChem CID 123304139) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-(4-methylpent-2-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-methylpent-2-en-2-yl)ethanimidamide
PubChem CID123304139
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-(4-methylpent-2-en-2-yl)ethanimidamide
SMILESCC(=CC(C)C)/N=C(\C)N
InChIInChI=1S/C8H16N2/c1-6(2)5-7(3)10-8(4)9/h5-6H,1-4H3,(H2,9,10)
InChIKeyPJJRPBYCGUTDEI-UHFFFAOYSA-N
XLogP1.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.92
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'-(4-methylpent-2-en-2-yl)ethanimidamide?
The IUPAC name of N'-(4-methylpent-2-en-2-yl)ethanimidamide (CID 123304139) is N'-(4-methylpent-2-en-2-yl)ethanimidamide.
What is the SMILES notation for N'-(4-methylpent-2-en-2-yl)ethanimidamide?
The canonical SMILES for N'-(4-methylpent-2-en-2-yl)ethanimidamide is CC(=CC(C)C)/N=C(\C)N.
What is the InChIKey of N'-(4-methylpent-2-en-2-yl)ethanimidamide?
The InChIKey is PJJRPBYCGUTDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)5-7(3)10-8(4)9/h5-6H,1-4H3,(H2,9,10).
What are the key properties of N'-(4-methylpent-2-en-2-yl)ethanimidamide?
N'-(4-methylpent-2-en-2-yl)ethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpent-2-en-2-yl)ethanimidamide is sourced from PubChem (CID 123304139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).