4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline

C19H24N2 — CID 170587790

IUPAC4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline
SMILESCCc1ncc(CN2CCCC3(CC3)C2)c2ccccc12
InChIInChI=1S/C19H24N2/c1-2-18-17-7-4-3-6-16(17)15(12-20-18)13-21-11-5-8-19(14-21)9-10-19/h3-4,6-7,12H,2,5,8-11,13-14H2,1H3
InChIKeyACVDOSXSNPLLRE-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.17
Rot. Bonds3

About 4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline

4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline (PubChem CID 170587790) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline.

Molecular Properties

Compound Name4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline
PubChem CID170587790
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline
SMILESCCc1ncc(CN2CCCC3(CC3)C2)c2ccccc12
InChIInChI=1S/C19H24N2/c1-2-18-17-7-4-3-6-16(17)15(12-20-18)13-21-11-5-8-19(14-21)9-10-19/h3-4,6-7,12H,2,5,8-11,13-14H2,1H3
InChIKeyACVDOSXSNPLLRE-UHFFFAOYSA-N
XLogP4.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline?
The IUPAC name of 4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline (CID 170587790) is 4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline.
What is the SMILES notation for 4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline?
The canonical SMILES for 4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline is CCc1ncc(CN2CCCC3(CC3)C2)c2ccccc12.
What is the InChIKey of 4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline?
The InChIKey is ACVDOSXSNPLLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-18-17-7-4-3-6-16(17)15(12-20-18)13-21-11-5-8-19(14-21)9-10-19/h3-4,6-7,12H,2,5,8-11,13-14H2,1H3.
What are the key properties of 4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline?
4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline has a molecular weight of 280.42 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-azaspiro[2.5]octan-5-ylmethyl)-1-ethylisoquinoline is sourced from PubChem (CID 170587790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).