N,N-dimethylacetamide;hexanedinitrile

C10H17N3O — CID 163600575

IUPACN,N-dimethylacetamide;hexanedinitrile
SMILESCC(=O)N(C)C.N#CCCCCC#N
InChIInChI=1S/C6H8N2.C4H9NO/c7-5-3-1-2-4-6-8;1-4(6)5(2)3/h1-4H2;1-3H3
InChIKeyGXGSSACLVCUGAN-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.69
Rot. Bonds3

About N,N-dimethylacetamide;hexanedinitrile

N,N-dimethylacetamide;hexanedinitrile (PubChem CID 163600575) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N,N-dimethylacetamide;hexanedinitrile.

Molecular Properties

Compound NameN,N-dimethylacetamide;hexanedinitrile
PubChem CID163600575
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN,N-dimethylacetamide;hexanedinitrile
SMILESCC(=O)N(C)C.N#CCCCCC#N
InChIInChI=1S/C6H8N2.C4H9NO/c7-5-3-1-2-4-6-8;1-4(6)5(2)3/h1-4H2;1-3H3
InChIKeyGXGSSACLVCUGAN-UHFFFAOYSA-N
XLogP1.69
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylacetamide;oxalonitrile
CID 174761763
3-[2-(4-cyanobutylamino)ethyl]-1,1-dimethylurea
CID 83121561
2-[4-cyanobutyl(methyl)amino]propanoic acid
CID 62638342
S-(10-cyanodecyl) ethanethioate
CID 538176
henicosanedinitrile
CID 87345062
azane;N,N-dimethylacetamide
CID 161145572
2-[bis(dimethylamino)methylidene]octanedinitrile
CID 13483686
N,N-dimethylacetamide;ethane-1,2-diol
CID 19046924
ethane;5-hydroxypentanenitrile
CID 144859936
bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate
CID 139055748
10-cyanodecanamide
CID 87916786
N,N-dimethylacetamide;molecular iodine
CID 158534416

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;hexanedinitrile?
The IUPAC name of N,N-dimethylacetamide;hexanedinitrile (CID 163600575) is N,N-dimethylacetamide;hexanedinitrile.
What is the SMILES notation for N,N-dimethylacetamide;hexanedinitrile?
The canonical SMILES for N,N-dimethylacetamide;hexanedinitrile is CC(=O)N(C)C.N#CCCCCC#N.
What is the InChIKey of N,N-dimethylacetamide;hexanedinitrile?
The InChIKey is GXGSSACLVCUGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C4H9NO/c7-5-3-1-2-4-6-8;1-4(6)5(2)3/h1-4H2;1-3H3.
What are the key properties of N,N-dimethylacetamide;hexanedinitrile?
N,N-dimethylacetamide;hexanedinitrile has a molecular weight of 195.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;hexanedinitrile is sourced from PubChem (CID 163600575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).