6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile

C12H14N2 — CID 130062108

IUPAC6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCC(N)c1cc(C#N)c2c(c1)CCC2
InChIInChI=1S/C12H14N2/c1-8(14)10-5-9-3-2-4-12(9)11(6-10)7-13/h5-6,8H,2-4,14H2,1H3
InChIKeyJTOYCDIAZLMGFH-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.07
Rot. Bonds1

About 6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile

6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 130062108) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID130062108
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCC(N)c1cc(C#N)c2c(c1)CCC2
InChIInChI=1S/C12H14N2/c1-8(14)10-5-9-3-2-4-12(9)11(6-10)7-13/h5-6,8H,2-4,14H2,1H3
InChIKeyJTOYCDIAZLMGFH-UHFFFAOYSA-N
XLogP2.07
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of 6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile (CID 130062108) is 6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for 6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for 6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile is CC(N)c1cc(C#N)c2c(c1)CCC2.
What is the InChIKey of 6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is JTOYCDIAZLMGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8(14)10-5-9-3-2-4-12(9)11(6-10)7-13/h5-6,8H,2-4,14H2,1H3.
What are the key properties of 6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile?
6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 130062108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).