8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane

C18H26N2 — CID 103998282

IUPAC8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane
SMILESc1cc2c(cc1CN1CCC3(CCCC3)CC1)CNC2
InChIInChI=1S/C18H26N2/c1-2-6-18(5-1)7-9-20(10-8-18)14-15-3-4-16-12-19-13-17(16)11-15/h3-4,11,19H,1-2,5-10,12-14H2
InChIKeyLGZFGBBDLHICKW-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.45
Rot. Bonds2

About 8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane

8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane (PubChem CID 103998282) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane
PubChem CID103998282
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane
SMILESc1cc2c(cc1CN1CCC3(CCCC3)CC1)CNC2
InChIInChI=1S/C18H26N2/c1-2-6-18(5-1)7-9-20(10-8-18)14-15-3-4-16-12-19-13-17(16)11-15/h3-4,11,19H,1-2,5-10,12-14H2
InChIKeyLGZFGBBDLHICKW-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103997998
2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 103998261
5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-bromoaniline
CID 115557187
5-[(4-tert-butylazepan-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103998331
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-methylaniline
CID 62930793
CID 159268606
CID 159268606
2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 103998278
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 103998358
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyrrolidin-2-one
CID 105358356
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103534857
4-(3-azaspiro[5.5]undecan-3-ylmethyl)benzoic acid
CID 62935868
[4-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]boronic acid
CID 62932300

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane (CID 103998282) is 8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane is c1cc2c(cc1CN1CCC3(CCCC3)CC1)CNC2.
What is the InChIKey of 8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane?
The InChIKey is LGZFGBBDLHICKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-6-18(5-1)7-9-20(10-8-18)14-15-3-4-16-12-19-13-17(16)11-15/h3-4,11,19H,1-2,5-10,12-14H2.
What are the key properties of 8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane?
8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane has a molecular weight of 270.42 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane is sourced from PubChem (CID 103998282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).