3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile

C19H20N2 — CID 62645655

IUPAC3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile
SMILESCC(C#N)CNC(C)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H20N2/c1-13(11-20)12-21-14(2)15-7-8-19-17(9-15)10-16-5-3-4-6-18(16)19/h3-9,13-14,21H,10,12H2,1-2H3
InChIKeyKTJWFZKUXCRYRR-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.07
Rot. Bonds4

About 3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile

3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile (PubChem CID 62645655) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile
PubChem CID62645655
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile
SMILESCC(C#N)CNC(C)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H20N2/c1-13(11-20)12-21-14(2)15-7-8-19-17(9-15)10-16-5-3-4-6-18(16)19/h3-9,13-14,21H,10,12H2,1-2H3
InChIKeyKTJWFZKUXCRYRR-UHFFFAOYSA-N
XLogP4.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile (CID 62645655) is 3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile is CC(C#N)CNC(C)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile?
The InChIKey is KTJWFZKUXCRYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13(11-20)12-21-14(2)15-7-8-19-17(9-15)10-16-5-3-4-6-18(16)19/h3-9,13-14,21H,10,12H2,1-2H3.
What are the key properties of 3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile?
3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile has a molecular weight of 276.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(9H-fluoren-2-yl)ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 62645655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).