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

C13H16N2 — CID 103830749

IUPAC3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile
SMILESCC(CC#N)NC1Cc2ccccc2C1
InChIInChI=1S/C13H16N2/c1-10(6-7-14)15-13-8-11-4-2-3-5-12(11)9-13/h2-5,10,13,15H,6,8-9H2,1H3
InChIKeyQVFDARKGBABFJJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.05
Rot. Bonds3

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

3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile (PubChem CID 103830749) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile
PubChem CID103830749
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile
SMILESCC(CC#N)NC1Cc2ccccc2C1
InChIInChI=1S/C13H16N2/c1-10(6-7-14)15-13-8-11-4-2-3-5-12(11)9-13/h2-5,10,13,15H,6,8-9H2,1H3
InChIKeyQVFDARKGBABFJJ-UHFFFAOYSA-N
XLogP2.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile (CID 103830749) is 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile is CC(CC#N)NC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile?
The InChIKey is QVFDARKGBABFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10(6-7-14)15-13-8-11-4-2-3-5-12(11)9-13/h2-5,10,13,15H,6,8-9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile?
3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile has a molecular weight of 200.28 g/mol, XLogP of 2.05, 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)butanenitrile is sourced from PubChem (CID 103830749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).