N,N-dimethylformamide;ethane;propanenitrile

C8H18N2O — CID 174809070

IUPACN,N-dimethylformamide;ethane;propanenitrile
SMILESCC.CCC#N.CN(C)C=O
InChIInChI=1S/C3H7NO.C3H5N.C2H6/c1-4(2)3-5;1-2-3-4;1-2/h3H,1-2H3;2H2,1H3;1-2H3
InChIKeyOGNNGSPUZKMTAQ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.65
Rot. Bonds1

About N,N-dimethylformamide;ethane;propanenitrile

N,N-dimethylformamide;ethane;propanenitrile (PubChem CID 174809070) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N,N-dimethylformamide;ethane;propanenitrile.

Molecular Properties

Compound NameN,N-dimethylformamide;ethane;propanenitrile
PubChem CID174809070
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN,N-dimethylformamide;ethane;propanenitrile
SMILESCC.CCC#N.CN(C)C=O
InChIInChI=1S/C3H7NO.C3H5N.C2H6/c1-4(2)3-5;1-2-3-4;1-2/h3H,1-2H3;2H2,1H3;1-2H3
InChIKeyOGNNGSPUZKMTAQ-UHFFFAOYSA-N
XLogP1.65
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetonitrile;N,N-dimethylformamide;propanenitrile
CID 88690914
pentakis(N,N-dimethylformamide);ethane
CID 54023735
CID 159352431
CID 159352431
2-cyanoacetamide;N,N-dimethylformamide
CID 175162617
calcium;N,N-dimethylformamide;hydride;hydrate
CID 175068153
barium(2+);N,N-dimethylformamide;hydride;hydrate
CID 174779878
propanenitrile bromide
CID 19792087
N,N-dimethylformamide;molecular chlorine
CID 86751989
N,N-dimethylformamide;dodecane
CID 174900991
formaldehyde;pentakis(propanenitrile);tungsten
CID 172863037
N,N-dimethylformamide;ethyl(dimethyl)silane
CID 174953021
potassium;N,N-dimethylformamide;iodide
CID 87701364

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;ethane;propanenitrile?
The IUPAC name of N,N-dimethylformamide;ethane;propanenitrile (CID 174809070) is N,N-dimethylformamide;ethane;propanenitrile.
What is the SMILES notation for N,N-dimethylformamide;ethane;propanenitrile?
The canonical SMILES for N,N-dimethylformamide;ethane;propanenitrile is CC.CCC#N.CN(C)C=O.
What is the InChIKey of N,N-dimethylformamide;ethane;propanenitrile?
The InChIKey is OGNNGSPUZKMTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C3H5N.C2H6/c1-4(2)3-5;1-2-3-4;1-2/h3H,1-2H3;2H2,1H3;1-2H3.
What are the key properties of N,N-dimethylformamide;ethane;propanenitrile?
N,N-dimethylformamide;ethane;propanenitrile has a molecular weight of 158.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;ethane;propanenitrile is sourced from PubChem (CID 174809070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).