2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile

C12H18N4 — CID 82944887

IUPAC2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile
SMILESCC(CN(C)C)Nc1ccc(N)c(C#N)c1
InChIInChI=1S/C12H18N4/c1-9(8-16(2)3)15-11-4-5-12(14)10(6-11)7-13/h4-6,9,15H,8,14H2,1-3H3
InChIKeyXYVHVODQFUIBGM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.50
Rot. Bonds4

About 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile

2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile (PubChem CID 82944887) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile
PubChem CID82944887
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile
SMILESCC(CN(C)C)Nc1ccc(N)c(C#N)c1
InChIInChI=1S/C12H18N4/c1-9(8-16(2)3)15-11-4-5-12(14)10(6-11)7-13/h4-6,9,15H,8,14H2,1-3H3
InChIKeyXYVHVODQFUIBGM-UHFFFAOYSA-N
XLogP1.50
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.50
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-(propan-2-ylamino)benzonitrile
CID 115498951
2-amino-5-(4-methylpentylamino)benzonitrile
CID 115499455
2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile
CID 115498963
2-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]benzonitrile
CID 114139297
2-amino-5-(2-methylpropylamino)benzonitrile
CID 115498956
2-amino-5-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile
CID 102903604
2-amino-5-(4-amino-3-cyanoanilino)benzonitrile
CID 162352092
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide
CID 82950580
2-amino-5-(4-hydroxypentylamino)benzonitrile
CID 106119857
2-amino-5-(2-aminoethylamino)benzonitrile
CID 115499405
2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile
CID 115499082
4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2-fluorobenzonitrile
CID 115367304

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile?
The IUPAC name of 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile (CID 82944887) is 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile.
What is the SMILES notation for 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile?
The canonical SMILES for 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile is CC(CN(C)C)Nc1ccc(N)c(C#N)c1.
What is the InChIKey of 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile?
The InChIKey is XYVHVODQFUIBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9(8-16(2)3)15-11-4-5-12(14)10(6-11)7-13/h4-6,9,15H,8,14H2,1-3H3.
What are the key properties of 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile?
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile is sourced from PubChem (CID 82944887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).