N,N'-di(ethanimidoyl)hexanediamide

C10H18N4O2 — CID 173088304

IUPACN,N'-di(ethanimidoyl)hexanediamide
SMILES[H]/N=C(\C)NC(=O)CCCCC(=O)N/C(C)=N/[H]
InChIInChI=1S/C10H18N4O2/c1-7(11)13-9(15)5-3-4-6-10(16)14-8(2)12/h3-6H2,1-2H3,(H2,11,13,15)(H2,12,14,16)
InChIKeyHRHIOJPHFXIXOL-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.77
Rot. Bonds5

About N,N'-di(ethanimidoyl)hexanediamide

N,N'-di(ethanimidoyl)hexanediamide (PubChem CID 173088304) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N,N'-di(ethanimidoyl)hexanediamide.

Molecular Properties

Compound NameN,N'-di(ethanimidoyl)hexanediamide
PubChem CID173088304
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN,N'-di(ethanimidoyl)hexanediamide
SMILES[H]/N=C(\C)NC(=O)CCCCC(=O)N/C(C)=N/[H]
InChIInChI=1S/C10H18N4O2/c1-7(11)13-9(15)5-3-4-6-10(16)14-8(2)12/h3-6H2,1-2H3,(H2,11,13,15)(H2,12,14,16)
InChIKeyHRHIOJPHFXIXOL-UHFFFAOYSA-N
XLogP0.77
TPSA105.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Related Compounds

N-ethanimidoyloctanamide
CID 142602215
N-(2-methylpropanimidoyl)hexanamide
CID 148065266
N-hexanimidoylacetamide
CID 162117691
N-ethanimidoylhexanamide
CID 164004390
N,N'-di(ethanimidoyl)-3-methylhexanediamide
CID 173088610

Frequently Asked Questions

What is the IUPAC name of N,N'-di(ethanimidoyl)hexanediamide?
The IUPAC name of N,N'-di(ethanimidoyl)hexanediamide (CID 173088304) is N,N'-di(ethanimidoyl)hexanediamide.
What is the SMILES notation for N,N'-di(ethanimidoyl)hexanediamide?
The canonical SMILES for N,N'-di(ethanimidoyl)hexanediamide is [H]/N=C(\C)NC(=O)CCCCC(=O)N/C(C)=N/[H].
What is the InChIKey of N,N'-di(ethanimidoyl)hexanediamide?
The InChIKey is HRHIOJPHFXIXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(11)13-9(15)5-3-4-6-10(16)14-8(2)12/h3-6H2,1-2H3,(H2,11,13,15)(H2,12,14,16).
What are the key properties of N,N'-di(ethanimidoyl)hexanediamide?
N,N'-di(ethanimidoyl)hexanediamide has a molecular weight of 226.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(ethanimidoyl)hexanediamide is sourced from PubChem (CID 173088304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).