6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile

C13H27N3 — CID 106710028

IUPAC6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile
SMILESCN(C)CCN(C)CCCCC(C)(C)C#N
InChIInChI=1S/C13H27N3/c1-13(2,12-14)8-6-7-9-16(5)11-10-15(3)4/h6-11H2,1-5H3
InChIKeyXEZNSIDERALJJX-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.20
Rot. Bonds8

About 6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile

6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile (PubChem CID 106710028) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile
PubChem CID106710028
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile
SMILESCN(C)CCN(C)CCCCC(C)(C)C#N
InChIInChI=1S/C13H27N3/c1-13(2,12-14)8-6-7-9-16(5)11-10-15(3)4/h6-11H2,1-5H3
InChIKeyXEZNSIDERALJJX-UHFFFAOYSA-N
XLogP2.20
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.20
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

6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile
CID 106709964
2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile
CID 106709854
4-[(5-cyano-5-methylhexyl)-methylamino]butanoic acid
CID 106713187
6-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylhexanenitrile
CID 106712664
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710145
2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile
CID 106709842
2,2-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]hexanenitrile
CID 106709869
2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile
CID 106709849
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106709895
4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile
CID 102993281
6-[(3-chlorophenyl)methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106709872

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile (CID 106710028) is 6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile is CN(C)CCN(C)CCCCC(C)(C)C#N.
What is the InChIKey of 6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile?
The InChIKey is XEZNSIDERALJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(2,12-14)8-6-7-9-16(5)11-10-15(3)4/h6-11H2,1-5H3.
What are the key properties of 6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile?
6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile has a molecular weight of 225.38 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106710028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).