2-methyl-6-(octylamino)benzonitrile

C16H24N2 — CID 107803295

IUPAC2-methyl-6-(octylamino)benzonitrile
SMILESCCCCCCCCNc1cccc(C)c1C#N
InChIInChI=1S/C16H24N2/c1-3-4-5-6-7-8-12-18-16-11-9-10-14(2)15(16)13-17/h9-11,18H,3-8,12H2,1-2H3
InChIKeyZKZGMUBVLRZONL-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.64
Rot. Bonds8

About 2-methyl-6-(octylamino)benzonitrile

2-methyl-6-(octylamino)benzonitrile (PubChem CID 107803295) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methyl-6-(octylamino)benzonitrile.

Molecular Properties

Compound Name2-methyl-6-(octylamino)benzonitrile
PubChem CID107803295
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-methyl-6-(octylamino)benzonitrile
SMILESCCCCCCCCNc1cccc(C)c1C#N
InChIInChI=1S/C16H24N2/c1-3-4-5-6-7-8-12-18-16-11-9-10-14(2)15(16)13-17/h9-11,18H,3-8,12H2,1-2H3
InChIKeyZKZGMUBVLRZONL-UHFFFAOYSA-N
XLogP4.64
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.64
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

2-fluoro-6-(octylamino)benzonitrile
CID 43580179
3-[2-(hexylamino)-6-methylphenyl]propanenitrile
CID 174838571
2-amino-6-(butylamino)benzonitrile
CID 12715720
2-(dodecylamino)benzonitrile
CID 63488308
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile
CID 114003061
3-(2-cyano-3-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 107799451
3-fluoro-2-methyl-N-octylaniline
CID 55191614
3-chloro-2-methyl-N-octylaniline
CID 43129192
2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 107803442
tert-butyl N-[2-(2-cyano-3-methylanilino)ethyl]carbamate
CID 107803681
2-methyl-6-(2-morpholin-4-ylethylamino)benzonitrile
CID 114003078

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(octylamino)benzonitrile?
The IUPAC name of 2-methyl-6-(octylamino)benzonitrile (CID 107803295) is 2-methyl-6-(octylamino)benzonitrile.
What is the SMILES notation for 2-methyl-6-(octylamino)benzonitrile?
The canonical SMILES for 2-methyl-6-(octylamino)benzonitrile is CCCCCCCCNc1cccc(C)c1C#N.
What is the InChIKey of 2-methyl-6-(octylamino)benzonitrile?
The InChIKey is ZKZGMUBVLRZONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-4-5-6-7-8-12-18-16-11-9-10-14(2)15(16)13-17/h9-11,18H,3-8,12H2,1-2H3.
What are the key properties of 2-methyl-6-(octylamino)benzonitrile?
2-methyl-6-(octylamino)benzonitrile has a molecular weight of 244.38 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(octylamino)benzonitrile is sourced from PubChem (CID 107803295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).