3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline

C19H28N2 — CID 106902182

IUPAC3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(CN1CCC3(CCCC3)CC1)CN2
InChIInChI=1S/C19H28N2/c1-2-6-18-17(5-1)13-16(14-20-18)15-21-11-9-19(10-12-21)7-3-4-8-19/h1-2,5-6,16,20H,3-4,7-15H2
InChIKeyIANPNMCRNOJXIL-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.93
Rot. Bonds2

About 3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline

3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106902182) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID106902182
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(CN1CCC3(CCCC3)CC1)CN2
InChIInChI=1S/C19H28N2/c1-2-6-18-17(5-1)13-16(14-20-18)15-21-11-9-19(10-12-21)7-3-4-8-19/h1-2,5-6,16,20H,3-4,7-15H2
InChIKeyIANPNMCRNOJXIL-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 106902182) is 3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CC(CN1CCC3(CCCC3)CC1)CN2.
What is the InChIKey of 3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is IANPNMCRNOJXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-2-6-18-17(5-1)13-16(14-20-18)15-21-11-9-19(10-12-21)7-3-4-8-19/h1-2,5-6,16,20H,3-4,7-15H2.
What are the key properties of 3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline?
3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 284.45 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106902182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).