hexanediamide;methoxymethane

C8H18N2O3 — CID 87287786

IUPAChexanediamide;methoxymethane
SMILESCOC.NC(=O)CCCCC(N)=O
InChIInChI=1S/C6H12N2O2.C2H6O/c7-5(9)3-1-2-4-6(8)10;1-3-2/h1-4H2,(H2,7,9)(H2,8,10);1-2H3
InChIKeyULRWRKDIMJFCNK-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.22
Rot. Bonds5

About hexanediamide;methoxymethane

hexanediamide;methoxymethane (PubChem CID 87287786) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is hexanediamide;methoxymethane.

Molecular Properties

Compound Namehexanediamide;methoxymethane
PubChem CID87287786
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Namehexanediamide;methoxymethane
SMILESCOC.NC(=O)CCCCC(N)=O
InChIInChI=1S/C6H12N2O2.C2H6O/c7-5(9)3-1-2-4-6(8)10;1-3-2/h1-4H2,(H2,7,9)(H2,8,10);1-2H3
InChIKeyULRWRKDIMJFCNK-UHFFFAOYSA-N
XLogP-0.22
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexanediamide;hydrazine
CID 160978463
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
hexanediamide;hydrazine
CID 160854105
4-methoxybutanamide
CID 22414177
methyl 7-amino-2,7-dioxoheptanoate
CID 146281507
copper;tridecanediamide
CID 159780260
4-methoxybutanamide;hydrochloride
CID 141117964
cyclohexane;hexanediamide
CID 22340258
5-[dimethoxy(methyl)silyl]pentanamide
CID 162121035

Frequently Asked Questions

What is the IUPAC name of hexanediamide;methoxymethane?
The IUPAC name of hexanediamide;methoxymethane (CID 87287786) is hexanediamide;methoxymethane.
What is the SMILES notation for hexanediamide;methoxymethane?
The canonical SMILES for hexanediamide;methoxymethane is COC.NC(=O)CCCCC(N)=O.
What is the InChIKey of hexanediamide;methoxymethane?
The InChIKey is ULRWRKDIMJFCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C2H6O/c7-5(9)3-1-2-4-6(8)10;1-3-2/h1-4H2,(H2,7,9)(H2,8,10);1-2H3.
What are the key properties of hexanediamide;methoxymethane?
hexanediamide;methoxymethane has a molecular weight of 190.24 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexanediamide;methoxymethane is sourced from PubChem (CID 87287786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).