1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile

C20H27N — CID 65423485

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C20H27N/c1-2-4-16-9-11-20(15-21,12-10-16)14-17-7-8-18-5-3-6-19(18)13-17/h7-8,13,16H,2-6,9-12,14H2,1H3
InChIKeyAXACPQCRQOXTSL-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.22
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile

1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile (PubChem CID 65423485) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile
PubChem CID65423485
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C20H27N/c1-2-4-16-9-11-20(15-21,12-10-16)14-17-7-8-18-5-3-6-19(18)13-17/h7-8,13,16H,2-6,9-12,14H2,1H3
InChIKeyAXACPQCRQOXTSL-UHFFFAOYSA-N
XLogP5.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile (CID 65423485) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)(Cc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile?
The InChIKey is AXACPQCRQOXTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-2-4-16-9-11-20(15-21,12-10-16)14-17-7-8-18-5-3-6-19(18)13-17/h7-8,13,16H,2-6,9-12,14H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile?
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile has a molecular weight of 281.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 65423485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).