6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile

C14H28N2 — CID 106709649

IUPAC6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile
SMILESCCC(CC)CNCCCCC(C)(C)C#N
InChIInChI=1S/C14H28N2/c1-5-13(6-2)11-16-10-8-7-9-14(3,4)12-15/h13,16H,5-11H2,1-4H3
InChIKeyWCDOTSWRWRVPBA-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.73
Rot. Bonds9

About 6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile

6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile (PubChem CID 106709649) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile
PubChem CID106709649
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile
SMILESCCC(CC)CNCCCCC(C)(C)C#N
InChIInChI=1S/C14H28N2/c1-5-13(6-2)11-16-10-8-7-9-14(3,4)12-15/h13,16H,5-11H2,1-4H3
InChIKeyWCDOTSWRWRVPBA-UHFFFAOYSA-N
XLogP3.73
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
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-hydroxy-3-methylbutyl)amino]-2,2-dimethylhexanenitrile
CID 106709632
6-(2,2-dimethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709688
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
2,2-dimethyl-6-(3-methylpentan-2-ylamino)hexanenitrile
CID 106709171
2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile
CID 106709585
6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile
CID 106709382
4-(hexylamino)-2,2-dimethylbutanenitrile
CID 65253637
6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
CID 106709405
5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol
CID 115756964
N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine
CID 58965152
6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709258
5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
CID 65256696

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile?
The IUPAC name of 6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile (CID 106709649) is 6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile is CCC(CC)CNCCCCC(C)(C)C#N.
What is the InChIKey of 6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile?
The InChIKey is WCDOTSWRWRVPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-13(6-2)11-16-10-8-7-9-14(3,4)12-15/h13,16H,5-11H2,1-4H3.
What are the key properties of 6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile?
6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile has a molecular weight of 224.39 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).