N'-(2-methylpent-4-enyl)ethanimidamide

C8H16N2 — CID 91373134

IUPACN'-(2-methylpent-4-enyl)ethanimidamide
SMILESC=CCC(C)C/N=C(\C)N
InChIInChI=1S/C8H16N2/c1-4-5-7(2)6-10-8(3)9/h4,7H,1,5-6H2,2-3H3,(H2,9,10)
InChIKeyCEXHUBDUMRDONX-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.58
Rot. Bonds4

About N'-(2-methylpent-4-enyl)ethanimidamide

N'-(2-methylpent-4-enyl)ethanimidamide (PubChem CID 91373134) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-(2-methylpent-4-enyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-methylpent-4-enyl)ethanimidamide
PubChem CID91373134
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-(2-methylpent-4-enyl)ethanimidamide
SMILESC=CCC(C)C/N=C(\C)N
InChIInChI=1S/C8H16N2/c1-4-5-7(2)6-10-8(3)9/h4,7H,1,5-6H2,2-3H3,(H2,9,10)
InChIKeyCEXHUBDUMRDONX-UHFFFAOYSA-N
XLogP1.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.58
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpent-4-enyl)ethanimidamide?
The IUPAC name of N'-(2-methylpent-4-enyl)ethanimidamide (CID 91373134) is N'-(2-methylpent-4-enyl)ethanimidamide.
What is the SMILES notation for N'-(2-methylpent-4-enyl)ethanimidamide?
The canonical SMILES for N'-(2-methylpent-4-enyl)ethanimidamide is C=CCC(C)C/N=C(\C)N.
What is the InChIKey of N'-(2-methylpent-4-enyl)ethanimidamide?
The InChIKey is CEXHUBDUMRDONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-5-7(2)6-10-8(3)9/h4,7H,1,5-6H2,2-3H3,(H2,9,10).
What are the key properties of N'-(2-methylpent-4-enyl)ethanimidamide?
N'-(2-methylpent-4-enyl)ethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpent-4-enyl)ethanimidamide is sourced from PubChem (CID 91373134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).