2-(2,2-dimethylbutylamino)-4-methylbenzonitrile

C14H20N2 — CID 103461763

IUPAC2-(2,2-dimethylbutylamino)-4-methylbenzonitrile
SMILESCCC(C)(C)CNc1cc(C)ccc1C#N
InChIInChI=1S/C14H20N2/c1-5-14(3,4)10-16-13-8-11(2)6-7-12(13)9-15/h6-8,16H,5,10H2,1-4H3
InChIKeyDNARAZBMVBKAIN-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.71
Rot. Bonds4

About 2-(2,2-dimethylbutylamino)-4-methylbenzonitrile

2-(2,2-dimethylbutylamino)-4-methylbenzonitrile (PubChem CID 103461763) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(2,2-dimethylbutylamino)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylbutylamino)-4-methylbenzonitrile
PubChem CID103461763
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(2,2-dimethylbutylamino)-4-methylbenzonitrile
SMILESCCC(C)(C)CNc1cc(C)ccc1C#N
InChIInChI=1S/C14H20N2/c1-5-14(3,4)10-16-13-8-11(2)6-7-12(13)9-15/h6-8,16H,5,10H2,1-4H3
InChIKeyDNARAZBMVBKAIN-UHFFFAOYSA-N
XLogP3.71
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(2,2-dimethylbutylamino)benzonitrile
CID 103461745
4-methyl-2-(2,2,3,3-tetrafluoropropylamino)benzonitrile
CID 114169420
4-methyl-2-(prop-2-ynylamino)benzonitrile
CID 62307299
2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile
CID 114017469
2-(2-aminobutylamino)-4-methylbenzonitrile
CID 63731405
2-(cyclohexylmethylamino)-4-methylbenzonitrile
CID 62308973
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile
CID 62641602
4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile
CID 62313204
4-methyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzonitrile
CID 62309036
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 62879958
2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile
CID 62499274
2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile
CID 62308969

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutylamino)-4-methylbenzonitrile?
The IUPAC name of 2-(2,2-dimethylbutylamino)-4-methylbenzonitrile (CID 103461763) is 2-(2,2-dimethylbutylamino)-4-methylbenzonitrile.
What is the SMILES notation for 2-(2,2-dimethylbutylamino)-4-methylbenzonitrile?
The canonical SMILES for 2-(2,2-dimethylbutylamino)-4-methylbenzonitrile is CCC(C)(C)CNc1cc(C)ccc1C#N.
What is the InChIKey of 2-(2,2-dimethylbutylamino)-4-methylbenzonitrile?
The InChIKey is DNARAZBMVBKAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-14(3,4)10-16-13-8-11(2)6-7-12(13)9-15/h6-8,16H,5,10H2,1-4H3.
What are the key properties of 2-(2,2-dimethylbutylamino)-4-methylbenzonitrile?
2-(2,2-dimethylbutylamino)-4-methylbenzonitrile has a molecular weight of 216.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutylamino)-4-methylbenzonitrile is sourced from PubChem (CID 103461763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).