2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile

C16H23N3 — CID 54889326

IUPAC2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile
SMILESCCN(CC)CCNC1(C#N)Cc2ccccc2C1
InChIInChI=1S/C16H23N3/c1-3-19(4-2)10-9-18-16(13-17)11-14-7-5-6-8-15(14)12-16/h5-8,18H,3-4,9-12H2,1-2H3
InChIKeyGEKPRLUJEQKVES-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.98
Rot. Bonds6

About 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile

2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile (PubChem CID 54889326) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile
PubChem CID54889326
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile
SMILESCCN(CC)CCNC1(C#N)Cc2ccccc2C1
InChIInChI=1S/C16H23N3/c1-3-19(4-2)10-9-18-16(13-17)11-14-7-5-6-8-15(14)12-16/h5-8,18H,3-4,9-12H2,1-2H3
InChIKeyGEKPRLUJEQKVES-UHFFFAOYSA-N
XLogP1.98
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile (CID 54889326) is 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile is CCN(CC)CCNC1(C#N)Cc2ccccc2C1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile?
The InChIKey is GEKPRLUJEQKVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-19(4-2)10-9-18-16(13-17)11-14-7-5-6-8-15(14)12-16/h5-8,18H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile?
2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 54889326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).