N,N'-di(ethanimidoyl)-3-methylhexanediamide

C11H20N4O2 — CID 173088610

IUPACN,N'-di(ethanimidoyl)-3-methylhexanediamide
SMILES[H]/N=C(\C)NC(=O)CCC(C)CC(=O)N/C(C)=N/[H]
InChIInChI=1S/C11H20N4O2/c1-7(6-11(17)15-9(3)13)4-5-10(16)14-8(2)12/h7H,4-6H2,1-3H3,(H2,12,14,16)(H2,13,15,17)
InChIKeyPXLWTTPJKUBQQF-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.02
Rot. Bonds5

About N,N'-di(ethanimidoyl)-3-methylhexanediamide

N,N'-di(ethanimidoyl)-3-methylhexanediamide (PubChem CID 173088610) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N,N'-di(ethanimidoyl)-3-methylhexanediamide.

Molecular Properties

Compound NameN,N'-di(ethanimidoyl)-3-methylhexanediamide
PubChem CID173088610
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN,N'-di(ethanimidoyl)-3-methylhexanediamide
SMILES[H]/N=C(\C)NC(=O)CCC(C)CC(=O)N/C(C)=N/[H]
InChIInChI=1S/C11H20N4O2/c1-7(6-11(17)15-9(3)13)4-5-10(16)14-8(2)12/h7H,4-6H2,1-3H3,(H2,12,14,16)(H2,13,15,17)
InChIKeyPXLWTTPJKUBQQF-UHFFFAOYSA-N
XLogP1.02
TPSA105.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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,N'-di(ethanimidoyl)-3-methylhexanediamide?
The IUPAC name of N,N'-di(ethanimidoyl)-3-methylhexanediamide (CID 173088610) is N,N'-di(ethanimidoyl)-3-methylhexanediamide.
What is the SMILES notation for N,N'-di(ethanimidoyl)-3-methylhexanediamide?
The canonical SMILES for N,N'-di(ethanimidoyl)-3-methylhexanediamide is [H]/N=C(\C)NC(=O)CCC(C)CC(=O)N/C(C)=N/[H].
What is the InChIKey of N,N'-di(ethanimidoyl)-3-methylhexanediamide?
The InChIKey is PXLWTTPJKUBQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(6-11(17)15-9(3)13)4-5-10(16)14-8(2)12/h7H,4-6H2,1-3H3,(H2,12,14,16)(H2,13,15,17).
What are the key properties of N,N'-di(ethanimidoyl)-3-methylhexanediamide?
N,N'-di(ethanimidoyl)-3-methylhexanediamide has a molecular weight of 240.31 g/mol, XLogP of 1.02, 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)-3-methylhexanediamide is sourced from PubChem (CID 173088610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).