2-amino-5-(2-cyclopropylethylamino)benzonitrile

C12H15N3 — CID 115499584

IUPAC2-amino-5-(2-cyclopropylethylamino)benzonitrile
SMILESN#Cc1cc(NCCC2CC2)ccc1N
InChIInChI=1S/C12H15N3/c13-8-10-7-11(3-4-12(10)14)15-6-5-9-1-2-9/h3-4,7,9,15H,1-2,5-6,14H2
InChIKeyWCJBFKFNOILWAN-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-5-(2-cyclopropylethylamino)benzonitrile

2-amino-5-(2-cyclopropylethylamino)benzonitrile (PubChem CID 115499584) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-5-(2-cyclopropylethylamino)benzonitrile.

Molecular Properties

Compound Name2-amino-5-(2-cyclopropylethylamino)benzonitrile
PubChem CID115499584
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-amino-5-(2-cyclopropylethylamino)benzonitrile
SMILESN#Cc1cc(NCCC2CC2)ccc1N
InChIInChI=1S/C12H15N3/c13-8-10-7-11(3-4-12(10)14)15-6-5-9-1-2-9/h3-4,7,9,15H,1-2,5-6,14H2
InChIKeyWCJBFKFNOILWAN-UHFFFAOYSA-N
XLogP2.35
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.35
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

4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine
CID 106750937
2-amino-5-(2-aminoethylamino)benzonitrile
CID 115499405
2-amino-5-(2-hydroxyethylamino)benzonitrile
CID 15827831
2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile
CID 102623958
4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine
CID 106750865
2-amino-5-(4-methylpentylamino)benzonitrile
CID 115499455
2-(4-amino-3-cyanoanilino)ethylurea
CID 83115999
2-amino-5-(2,2,3,3-tetrafluoropropylamino)benzonitrile
CID 106290007
2-amino-5-[(2-hydroxycyclohexyl)methylamino]benzonitrile
CID 115499554
2-amino-5-(4-amino-3-cyanoanilino)benzonitrile
CID 162352092
2-amino-5-(3-phenylpropylamino)benzonitrile
CID 115499167
5-(4-amino-3-cyanoanilino)pentanamide
CID 106234240

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-cyclopropylethylamino)benzonitrile?
The IUPAC name of 2-amino-5-(2-cyclopropylethylamino)benzonitrile (CID 115499584) is 2-amino-5-(2-cyclopropylethylamino)benzonitrile.
What is the SMILES notation for 2-amino-5-(2-cyclopropylethylamino)benzonitrile?
The canonical SMILES for 2-amino-5-(2-cyclopropylethylamino)benzonitrile is N#Cc1cc(NCCC2CC2)ccc1N.
What is the InChIKey of 2-amino-5-(2-cyclopropylethylamino)benzonitrile?
The InChIKey is WCJBFKFNOILWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-8-10-7-11(3-4-12(10)14)15-6-5-9-1-2-9/h3-4,7,9,15H,1-2,5-6,14H2.
What are the key properties of 2-amino-5-(2-cyclopropylethylamino)benzonitrile?
2-amino-5-(2-cyclopropylethylamino)benzonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-cyclopropylethylamino)benzonitrile is sourced from PubChem (CID 115499584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).