2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile

C15H23N3 — CID 102903604

IUPAC2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile
SMILESCC(C)C(CNc1ccc(N)c(C#N)c1)C(C)C
InChIInChI=1S/C15H23N3/c1-10(2)14(11(3)4)9-18-13-5-6-15(17)12(7-13)8-16/h5-7,10-11,14,18H,9,17H2,1-4H3
InChIKeyFQWCWXACDDTIJV-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.48
Rot. Bonds5

About 2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile

2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile (PubChem CID 102903604) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile
PubChem CID102903604
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile
SMILESCC(C)C(CNc1ccc(N)c(C#N)c1)C(C)C
InChIInChI=1S/C15H23N3/c1-10(2)14(11(3)4)9-18-13-5-6-15(17)12(7-13)8-16/h5-7,10-11,14,18H,9,17H2,1-4H3
InChIKeyFQWCWXACDDTIJV-UHFFFAOYSA-N
XLogP3.48
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(2-methylpropylamino)benzonitrile
CID 115498956
2-amino-5-(4-methylpentylamino)benzonitrile
CID 115499455
2-amino-5-(propan-2-ylamino)benzonitrile
CID 115498951
2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile
CID 115498963
2-amino-5-(4-hydroxypentylamino)benzonitrile
CID 106119857
2-amino-5-(2-aminoethylamino)benzonitrile
CID 115499405
2-methoxy-4-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine
CID 102903600
2-amino-5-(2-hydroxyethylamino)benzonitrile
CID 15827831
5-amino-2-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile
CID 102903567
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile
CID 82944887
2-amino-5-(4-amino-3-cyanoanilino)benzonitrile
CID 162352092
2-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]benzonitrile
CID 114139297

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile?
The IUPAC name of 2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile (CID 102903604) is 2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile.
What is the SMILES notation for 2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile?
The canonical SMILES for 2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile is CC(C)C(CNc1ccc(N)c(C#N)c1)C(C)C.
What is the InChIKey of 2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile?
The InChIKey is FQWCWXACDDTIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-10(2)14(11(3)4)9-18-13-5-6-15(17)12(7-13)8-16/h5-7,10-11,14,18H,9,17H2,1-4H3.
What are the key properties of 2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile?
2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile has a molecular weight of 245.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile is sourced from PubChem (CID 102903604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).