2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile

C15H22N4 — CID 105414204

IUPAC2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
SMILESCN(CC1(N(C)C)CCC1)c1ccc(N)c(C#N)c1
InChIInChI=1S/C15H22N4/c1-18(2)15(7-4-8-15)11-19(3)13-5-6-14(17)12(9-13)10-16/h5-6,9H,4,7-8,11,17H2,1-3H3
InChIKeyYYXYZGQLMIIZPR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.06
Rot. Bonds4

About 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile

2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile (PubChem CID 105414204) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
PubChem CID105414204
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
SMILESCN(CC1(N(C)C)CCC1)c1ccc(N)c(C#N)c1
InChIInChI=1S/C15H22N4/c1-18(2)15(7-4-8-15)11-19(3)13-5-6-14(17)12(9-13)10-16/h5-6,9H,4,7-8,11,17H2,1-3H3
InChIKeyYYXYZGQLMIIZPR-UHFFFAOYSA-N
XLogP2.06
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 105414185
2-amino-5-[2,2-dimethylpropyl(methyl)amino]benzonitrile
CID 115499344
2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile
CID 115499082
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
CID 105417896
2-amino-5-[methyl(3-methylbutyl)amino]benzonitrile
CID 115499206
2-amino-5-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 67884103
2-amino-5-[methyl-(2-methylcyclohexyl)amino]benzonitrile
CID 113323918
2-amino-5-[(2-bromophenyl)methyl-methylamino]benzonitrile
CID 115499199
2-amino-5-[(3-cyanophenyl)methyl-methylamino]benzonitrile
CID 115499440
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 105414177
3-(4-amino-3-cyano-N-methylanilino)-N-methylpropanamide
CID 106914203
4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline
CID 105418560

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile?
The IUPAC name of 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile (CID 105414204) is 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile.
What is the SMILES notation for 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile?
The canonical SMILES for 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile is CN(CC1(N(C)C)CCC1)c1ccc(N)c(C#N)c1.
What is the InChIKey of 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile?
The InChIKey is YYXYZGQLMIIZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18(2)15(7-4-8-15)11-19(3)13-5-6-14(17)12(9-13)10-16/h5-6,9H,4,7-8,11,17H2,1-3H3.
What are the key properties of 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile?
2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile is sourced from PubChem (CID 105414204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).