3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile

C12H14N2 — CID 3030894

IUPAC3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile
SMILESN#CCCNC1Cc2ccccc2C1
InChIInChI=1S/C12H14N2/c13-6-3-7-14-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12,14H,3,7-9H2
InChIKeyOGRVIGCJANWTOH-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.66
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile

3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile (PubChem CID 3030894) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile
PubChem CID3030894
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile
SMILESN#CCCNC1Cc2ccccc2C1
InChIInChI=1S/C12H14N2/c13-6-3-7-14-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12,14H,3,7-9H2
InChIKeyOGRVIGCJANWTOH-UHFFFAOYSA-N
XLogP1.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile (CID 3030894) is 3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile is N#CCCNC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile?
The InChIKey is OGRVIGCJANWTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-6-3-7-14-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12,14H,3,7-9H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile?
3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile has a molecular weight of 186.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile is sourced from PubChem (CID 3030894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).