2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile

C15H24N4 — CID 115498963

IUPAC2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile
SMILESCC(C)N(CCNc1ccc(N)c(C#N)c1)C(C)C
InChIInChI=1S/C15H24N4/c1-11(2)19(12(3)4)8-7-18-14-5-6-15(17)13(9-14)10-16/h5-6,9,11-12,18H,7-8,17H2,1-4H3
InChIKeyCKCQMYKPZRULPR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.67
Rot. Bonds6

About 2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile

2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile (PubChem CID 115498963) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile
PubChem CID115498963
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile
SMILESCC(C)N(CCNc1ccc(N)c(C#N)c1)C(C)C
InChIInChI=1S/C15H24N4/c1-11(2)19(12(3)4)8-7-18-14-5-6-15(17)13(9-14)10-16/h5-6,9,11-12,18H,7-8,17H2,1-4H3
InChIKeyCKCQMYKPZRULPR-UHFFFAOYSA-N
XLogP2.67
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]benzonitrile
CID 114139297
2-chloro-4-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile
CID 62944344
2-amino-5-(4-methylpentylamino)benzonitrile
CID 115499455
2-amino-5-(2-methylpropylamino)benzonitrile
CID 115498956
2-amino-5-(2-aminoethylamino)benzonitrile
CID 115499405
2-amino-5-(4-hydroxypentylamino)benzonitrile
CID 106119857
2-amino-5-(2-hydroxyethylamino)benzonitrile
CID 15827831
2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile
CID 102903604
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile
CID 82944887
2-amino-5-(propan-2-ylamino)benzonitrile
CID 115498951
2-amino-5-(2-cyclopropylethylamino)benzonitrile
CID 115499584
2-(4-amino-3-cyanoanilino)ethylurea
CID 83115999

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile?
The IUPAC name of 2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile (CID 115498963) is 2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile.
What is the SMILES notation for 2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile?
The canonical SMILES for 2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile is CC(C)N(CCNc1ccc(N)c(C#N)c1)C(C)C.
What is the InChIKey of 2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile?
The InChIKey is CKCQMYKPZRULPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11(2)19(12(3)4)8-7-18-14-5-6-15(17)13(9-14)10-16/h5-6,9,11-12,18H,7-8,17H2,1-4H3.
What are the key properties of 2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile?
2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile has a molecular weight of 260.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile is sourced from PubChem (CID 115498963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).