5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile

C14H18ClN3 — CID 115349226

IUPAC5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile
SMILESCN(C)CCNC1(C#N)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H18ClN3/c1-18(2)6-5-17-14(10-16)8-11-3-4-13(15)7-12(11)9-14/h3-4,7,17H,5-6,8-9H2,1-2H3
InChIKeyOIWYSYYATUGWLN-UHFFFAOYSA-N
MW263.77 g/mol
LogP1.85
Rot. Bonds4

About 5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile

5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile (PubChem CID 115349226) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile
PubChem CID115349226
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile
SMILESCN(C)CCNC1(C#N)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H18ClN3/c1-18(2)6-5-17-14(10-16)8-11-3-4-13(15)7-12(11)9-14/h3-4,7,17H,5-6,8-9H2,1-2H3
InChIKeyOIWYSYYATUGWLN-UHFFFAOYSA-N
XLogP1.85
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile (CID 115349226) is 5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile is CN(C)CCNC1(C#N)Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile?
The InChIKey is OIWYSYYATUGWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-18(2)6-5-17-14(10-16)8-11-3-4-13(15)7-12(11)9-14/h3-4,7,17H,5-6,8-9H2,1-2H3.
What are the key properties of 5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile?
5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile has a molecular weight of 263.77 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(dimethylamino)ethylamino]-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 115349226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).