2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile

C16H15N3 — CID 115499036

IUPAC2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
SMILESN#Cc1cc(Nc2ccc3c(c2)CCC3)ccc1N
InChIInChI=1S/C16H15N3/c17-10-13-9-15(6-7-16(13)18)19-14-5-4-11-2-1-3-12(11)8-14/h4-9,19H,1-3,18H2
InChIKeyTZVRUUFNIFEYDM-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.37
Rot. Bonds2

About 2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile

2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile (PubChem CID 115499036) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile.

Molecular Properties

Compound Name2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
PubChem CID115499036
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
SMILESN#Cc1cc(Nc2ccc3c(c2)CCC3)ccc1N
InChIInChI=1S/C16H15N3/c17-10-13-9-15(6-7-16(13)18)19-14-5-4-11-2-1-3-12(11)8-14/h4-9,19H,1-3,18H2
InChIKeyTZVRUUFNIFEYDM-UHFFFAOYSA-N
XLogP3.37
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile?
The IUPAC name of 2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile (CID 115499036) is 2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile.
What is the SMILES notation for 2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile?
The canonical SMILES for 2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile is N#Cc1cc(Nc2ccc3c(c2)CCC3)ccc1N.
What is the InChIKey of 2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile?
The InChIKey is TZVRUUFNIFEYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-10-13-9-15(6-7-16(13)18)19-14-5-4-11-2-1-3-12(11)8-14/h4-9,19H,1-3,18H2.
What are the key properties of 2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile?
2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile has a molecular weight of 249.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile is sourced from PubChem (CID 115499036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).