2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile

C12H17N3 — CID 115499082

IUPAC2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile
SMILESCC(C)CN(C)c1ccc(N)c(C#N)c1
InChIInChI=1S/C12H17N3/c1-9(2)8-15(3)11-4-5-12(14)10(6-11)7-13/h4-6,9H,8,14H2,1-3H3
InChIKeyUTYFQIMPIFQPEP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.23
Rot. Bonds3

About 2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile

2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile (PubChem CID 115499082) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile
PubChem CID115499082
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile
SMILESCC(C)CN(C)c1ccc(N)c(C#N)c1
InChIInChI=1S/C12H17N3/c1-9(2)8-15(3)11-4-5-12(14)10(6-11)7-13/h4-6,9H,8,14H2,1-3H3
InChIKeyUTYFQIMPIFQPEP-UHFFFAOYSA-N
XLogP2.23
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[methyl(3-methylbutyl)amino]benzonitrile
CID 115499206
2-amino-5-[bis(3-methylbutyl)amino]benzonitrile
CID 107869201
2-amino-5-[2,2-dimethylpropyl(methyl)amino]benzonitrile
CID 115499344
2-amino-5-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 67884103
2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
CID 105414204
2-amino-5-[(3-cyanophenyl)methyl-methylamino]benzonitrile
CID 115499440
2-amino-5-[(2-bromophenyl)methyl-methylamino]benzonitrile
CID 115499199
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile
CID 82944887
3-(4-amino-3-cyano-N-methylanilino)-N-methylpropanamide
CID 106914203
2-amino-5-[(2-methoxyphenyl)methyl-methylamino]benzonitrile
CID 115499202
2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 113323849
2-amino-5-(N-ethyl-4-methylanilino)benzonitrile
CID 115499366

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile?
The IUPAC name of 2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile (CID 115499082) is 2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile.
What is the SMILES notation for 2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile?
The canonical SMILES for 2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile is CC(C)CN(C)c1ccc(N)c(C#N)c1.
What is the InChIKey of 2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile?
The InChIKey is UTYFQIMPIFQPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9(2)8-15(3)11-4-5-12(14)10(6-11)7-13/h4-6,9H,8,14H2,1-3H3.
What are the key properties of 2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile?
2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile is sourced from PubChem (CID 115499082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).