2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile

C11H19F3N2 — CID 106709854

IUPAC2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile
SMILESCN(CCCCC(C)(C)C#N)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-10(2,8-15)6-4-5-7-16(3)9-11(12,13)14/h4-7,9H2,1-3H3
InChIKeyLTYODIBQQHNRPD-UHFFFAOYSA-N
MW236.28 g/mol
LogP3.20
Rot. Bonds6

About 2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile

2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile (PubChem CID 106709854) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile
PubChem CID106709854
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile
SMILESCN(CCCCC(C)(C)C#N)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-10(2,8-15)6-4-5-7-16(3)9-11(12,13)14/h4-7,9H2,1-3H3
InChIKeyLTYODIBQQHNRPD-UHFFFAOYSA-N
XLogP3.20
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.20
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

6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile
CID 106709964
6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710028
4-[(5-cyano-5-methylhexyl)-methylamino]butanoic acid
CID 106713187
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
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106709895
6-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylhexanenitrile
CID 106712664
6-[(3-chlorophenyl)methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106709872
N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62427958
2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile
CID 106709849
N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 140748013

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile (CID 106709854) is 2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile is CN(CCCCC(C)(C)C#N)CC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile?
The InChIKey is LTYODIBQQHNRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-10(2,8-15)6-4-5-7-16(3)9-11(12,13)14/h4-7,9H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile?
2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile has a molecular weight of 236.28 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile is sourced from PubChem (CID 106709854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).