3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile

C17H16N2 — CID 62646365

IUPAC3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile
SMILESCC(C#N)CNC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16N2/c1-12(10-18)11-19-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,19H,11H2,1H3
InChIKeyWVUXFSXRKJXNLU-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.51
Rot. Bonds3

About 3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile

3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile (PubChem CID 62646365) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile
PubChem CID62646365
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile
SMILESCC(C#N)CNC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16N2/c1-12(10-18)11-19-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,19H,11H2,1H3
InChIKeyWVUXFSXRKJXNLU-UHFFFAOYSA-N
XLogP3.51
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile?
The IUPAC name of 3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile (CID 62646365) is 3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile.
What is the SMILES notation for 3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile?
The canonical SMILES for 3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile is CC(C#N)CNC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile?
The InChIKey is WVUXFSXRKJXNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12(10-18)11-19-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,19H,11H2,1H3.
What are the key properties of 3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile?
3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile has a molecular weight of 248.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile is sourced from PubChem (CID 62646365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).