6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile

C14H28N2 — CID 106709964

IUPAC6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile
SMILESCN(CCCCC(C)(C)C#N)CC(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)12-16(6)10-8-7-9-14(4,5)11-15/h7-10,12H2,1-6H3
InChIKeyFQOJUGVJPWXPGA-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.68
Rot. Bonds6

About 6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile

6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile (PubChem CID 106709964) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile
PubChem CID106709964
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile
SMILESCN(CCCCC(C)(C)C#N)CC(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)12-16(6)10-8-7-9-14(4,5)11-15/h7-10,12H2,1-6H3
InChIKeyFQOJUGVJPWXPGA-UHFFFAOYSA-N
XLogP3.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.68
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

2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile
CID 106709854
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
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine
CID 62227650
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
2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile
CID 106709849

Frequently Asked Questions

What is the IUPAC name of 6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile (CID 106709964) is 6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile is CN(CCCCC(C)(C)C#N)CC(C)(C)C.
What is the InChIKey of 6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile?
The InChIKey is FQOJUGVJPWXPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2,3)12-16(6)10-8-7-9-14(4,5)11-15/h7-10,12H2,1-6H3.
What are the key properties of 6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile?
6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile has a molecular weight of 224.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).