6-[di(propan-2-yl)amino]hexanenitrile

C12H24N2 — CID 151784240

IUPAC6-[di(propan-2-yl)amino]hexanenitrile
SMILESCC(C)N(CCCCCC#N)C(C)C
InChIInChI=1S/C12H24N2/c1-11(2)14(12(3)4)10-8-6-5-7-9-13/h11-12H,5-8,10H2,1-4H3
InChIKeyRVGJOAHMXFIARR-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.19
Rot. Bonds7

About 6-[di(propan-2-yl)amino]hexanenitrile

6-[di(propan-2-yl)amino]hexanenitrile (PubChem CID 151784240) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 6-[di(propan-2-yl)amino]hexanenitrile.

Molecular Properties

Compound Name6-[di(propan-2-yl)amino]hexanenitrile
PubChem CID151784240
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name6-[di(propan-2-yl)amino]hexanenitrile
SMILESCC(C)N(CCCCCC#N)C(C)C
InChIInChI=1S/C12H24N2/c1-11(2)14(12(3)4)10-8-6-5-7-9-13/h11-12H,5-8,10H2,1-4H3
InChIKeyRVGJOAHMXFIARR-UHFFFAOYSA-N
XLogP3.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile
CID 28568679
2-N,2-N,3-N,3-N-tetrakis(8-cyanooctyl)butane-2,3-disulfonamide
CID 160746486
henicosanedinitrile
CID 87345062
7-(diethylamino)heptanenitrile
CID 3857194
5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 55208074
N,N-bis(10-cyanodecyl)sulfamoyl fluoride
CID 160893521
16-(dihexadecylamino)hexadecanenitrile
CID 139661963
2-N,2-N,2-N',2-N'-tetrakis(8-cyanooctyl)propane-2,2-disulfonamide
CID 159752075
3-[6-chlorohexyl(propan-2-yl)amino]propanenitrile
CID 62229326
3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile
CID 15076035
N',N'-di(propan-2-yl)butane-1,4-diamine
CID 15365351
5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile
CID 55028946

Frequently Asked Questions

What is the IUPAC name of 6-[di(propan-2-yl)amino]hexanenitrile?
The IUPAC name of 6-[di(propan-2-yl)amino]hexanenitrile (CID 151784240) is 6-[di(propan-2-yl)amino]hexanenitrile.
What is the SMILES notation for 6-[di(propan-2-yl)amino]hexanenitrile?
The canonical SMILES for 6-[di(propan-2-yl)amino]hexanenitrile is CC(C)N(CCCCCC#N)C(C)C.
What is the InChIKey of 6-[di(propan-2-yl)amino]hexanenitrile?
The InChIKey is RVGJOAHMXFIARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2)14(12(3)4)10-8-6-5-7-9-13/h11-12H,5-8,10H2,1-4H3.
What are the key properties of 6-[di(propan-2-yl)amino]hexanenitrile?
6-[di(propan-2-yl)amino]hexanenitrile has a molecular weight of 196.34 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[di(propan-2-yl)amino]hexanenitrile is sourced from PubChem (CID 151784240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).