2-[bis(dimethylamino)methylidene]octanedinitrile

C13H22N4 — CID 13483686

IUPAC2-[bis(dimethylamino)methylidene]octanedinitrile
SMILESCN(C)C(=C(C#N)CCCCCC#N)N(C)C
InChIInChI=1S/C13H22N4/c1-16(2)13(17(3)4)12(11-15)9-7-5-6-8-10-14/h5-9H2,1-4H3
InChIKeyQSUVJXORJYSMJR-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.32
Rot. Bonds7

About 2-[bis(dimethylamino)methylidene]octanedinitrile

2-[bis(dimethylamino)methylidene]octanedinitrile (PubChem CID 13483686) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-[bis(dimethylamino)methylidene]octanedinitrile.

Molecular Properties

Compound Name2-[bis(dimethylamino)methylidene]octanedinitrile
PubChem CID13483686
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-[bis(dimethylamino)methylidene]octanedinitrile
SMILESCN(C)C(=C(C#N)CCCCCC#N)N(C)C
InChIInChI=1S/C13H22N4/c1-16(2)13(17(3)4)12(11-15)9-7-5-6-8-10-14/h5-9H2,1-4H3
InChIKeyQSUVJXORJYSMJR-UHFFFAOYSA-N
XLogP2.32
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylacetamide;hexanedinitrile
CID 163600575
henicosanedinitrile
CID 87345062
10-cyanodecanamide
CID 87916786
methyl 16-cyanohexadecanoate
CID 86171484
1,5-dicyano-N-methylpentan-1-imine oxide
CID 10820931
octadecanenitrile
CID 12532
undecanenitrile
CID 16722
5-[methoxy(methyl)amino]pentanenitrile
CID 118335786
ethyl 13-cyanotridecanoate
CID 66560763
ethyl 6-cyanohexanoate
CID 24976
ethane;5-hydroxypentanenitrile
CID 144859936
14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile
CID 11372781

Frequently Asked Questions

What is the IUPAC name of 2-[bis(dimethylamino)methylidene]octanedinitrile?
The IUPAC name of 2-[bis(dimethylamino)methylidene]octanedinitrile (CID 13483686) is 2-[bis(dimethylamino)methylidene]octanedinitrile.
What is the SMILES notation for 2-[bis(dimethylamino)methylidene]octanedinitrile?
The canonical SMILES for 2-[bis(dimethylamino)methylidene]octanedinitrile is CN(C)C(=C(C#N)CCCCCC#N)N(C)C.
What is the InChIKey of 2-[bis(dimethylamino)methylidene]octanedinitrile?
The InChIKey is QSUVJXORJYSMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(2)13(17(3)4)12(11-15)9-7-5-6-8-10-14/h5-9H2,1-4H3.
What are the key properties of 2-[bis(dimethylamino)methylidene]octanedinitrile?
2-[bis(dimethylamino)methylidene]octanedinitrile has a molecular weight of 234.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(dimethylamino)methylidene]octanedinitrile is sourced from PubChem (CID 13483686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).