6-(2-ethylanilino)-2,2-dimethylhexanenitrile

C16H24N2 — CID 106709014

IUPAC6-(2-ethylanilino)-2,2-dimethylhexanenitrile
SMILESCCc1ccccc1NCCCCC(C)(C)C#N
InChIInChI=1S/C16H24N2/c1-4-14-9-5-6-10-15(14)18-12-8-7-11-16(2,3)13-17/h5-6,9-10,18H,4,7-8,11-12H2,1-3H3
InChIKeyJQTCAEZASIJJQM-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.38
Rot. Bonds7

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

6-(2-ethylanilino)-2,2-dimethylhexanenitrile (PubChem CID 106709014) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 6-(2-ethylanilino)-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-(2-ethylanilino)-2,2-dimethylhexanenitrile
PubChem CID106709014
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name6-(2-ethylanilino)-2,2-dimethylhexanenitrile
SMILESCCc1ccccc1NCCCCC(C)(C)C#N
InChIInChI=1S/C16H24N2/c1-4-14-9-5-6-10-15(14)18-12-8-7-11-16(2,3)13-17/h5-6,9-10,18H,4,7-8,11-12H2,1-3H3
InChIKeyJQTCAEZASIJJQM-UHFFFAOYSA-N
XLogP4.38
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.38
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-tert-butylanilino)-2,2-dimethylhexanenitrile
CID 106709354
2,2-dimethyl-6-[(2-methylphenyl)methylamino]hexanenitrile
CID 106709115
6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711028
5-anilino-2,2-dimethylpentanenitrile
CID 65256464
2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile
CID 106709273
4-(4-bromo-2-ethylanilino)-2,2-dimethylbutanenitrile
CID 81292133
2-ethyl-N-pent-3-ynylaniline
CID 104744087
6-[(2,5-dimethylpyrrol-1-yl)amino]-2,2-dimethylhexanenitrile
CID 106709426
3-chloro-4-[(5-cyano-5-methylhexyl)amino]benzonitrile
CID 107807876
4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile
CID 65251986
6-(5-bromo-2,4-difluoroanilino)-2,2-dimethylhexanenitrile
CID 106709680
2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile
CID 106709606

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylanilino)-2,2-dimethylhexanenitrile?
The IUPAC name of 6-(2-ethylanilino)-2,2-dimethylhexanenitrile (CID 106709014) is 6-(2-ethylanilino)-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-(2-ethylanilino)-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-(2-ethylanilino)-2,2-dimethylhexanenitrile is CCc1ccccc1NCCCCC(C)(C)C#N.
What is the InChIKey of 6-(2-ethylanilino)-2,2-dimethylhexanenitrile?
The InChIKey is JQTCAEZASIJJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-14-9-5-6-10-15(14)18-12-8-7-11-16(2,3)13-17/h5-6,9-10,18H,4,7-8,11-12H2,1-3H3.
What are the key properties of 6-(2-ethylanilino)-2,2-dimethylhexanenitrile?
6-(2-ethylanilino)-2,2-dimethylhexanenitrile has a molecular weight of 244.38 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylanilino)-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).