2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile

C14H28N2 — CID 106709842

IUPAC2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile
SMILESCCC(CC)N(C)CCCCC(C)(C)C#N
InChIInChI=1S/C14H28N2/c1-6-13(7-2)16(5)11-9-8-10-14(3,4)12-15/h13H,6-11H2,1-5H3
InChIKeyOBUJYMWADLICNH-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.83
Rot. Bonds8

About 2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile

2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile (PubChem CID 106709842) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile
PubChem CID106709842
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile
SMILESCCC(CC)N(C)CCCCC(C)(C)C#N
InChIInChI=1S/C14H28N2/c1-6-13(7-2)16(5)11-9-8-10-14(3,4)12-15/h13H,6-11H2,1-5H3
InChIKeyOBUJYMWADLICNH-UHFFFAOYSA-N
XLogP3.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.83
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-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 65251542
5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile
CID 65257362
6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710028
6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile
CID 106709964
4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile
CID 123736635
2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile
CID 106709854
6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
CID 106709737
5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile
CID 65257246
6-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
CID 106709935
4-[(5-cyano-5-methylhexyl)-methylamino]butanoic acid
CID 106713187
6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709904
5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine
CID 61287130

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile (CID 106709842) is 2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile is CCC(CC)N(C)CCCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile?
The InChIKey is OBUJYMWADLICNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-13(7-2)16(5)11-9-8-10-14(3,4)12-15/h13H,6-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile?
2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile has a molecular weight of 224.39 g/mol, XLogP of 3.83, 8 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(pentan-3-yl)amino]hexanenitrile is sourced from PubChem (CID 106709842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).