N'-hexylethanimidamide

C8H18N2 — CID 10931543

IUPACN'-hexylethanimidamide
SMILESCCCCCC/N=C(\C)N
InChIInChI=1S/C8H18N2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3,(H2,9,10)
InChIKeyGLHDQWIDLIBEJW-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.94
Rot. Bonds5

About N'-hexylethanimidamide

N'-hexylethanimidamide (PubChem CID 10931543) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N'-hexylethanimidamide.

Molecular Properties

Compound NameN'-hexylethanimidamide
PubChem CID10931543
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN'-hexylethanimidamide
SMILESCCCCCC/N=C(\C)N
InChIInChI=1S/C8H18N2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3,(H2,9,10)
InChIKeyGLHDQWIDLIBEJW-UHFFFAOYSA-N
XLogP1.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-hexylethanimidamide?
The IUPAC name of N'-hexylethanimidamide (CID 10931543) is N'-hexylethanimidamide.
What is the SMILES notation for N'-hexylethanimidamide?
The canonical SMILES for N'-hexylethanimidamide is CCCCCC/N=C(\C)N.
What is the InChIKey of N'-hexylethanimidamide?
The InChIKey is GLHDQWIDLIBEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3,(H2,9,10).
What are the key properties of N'-hexylethanimidamide?
N'-hexylethanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexylethanimidamide is sourced from PubChem (CID 10931543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).