5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline

C14H18N2 — CID 80554836

IUPAC5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(N3CC4(CC4)C3)c1)CCNC2
InChIInChI=1S/C14H18N2/c1-2-11-8-15-7-4-12(11)13(3-1)16-9-14(10-16)5-6-14/h1-3,15H,4-10H2
InChIKeyPRSSZQAUXIIJDD-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.93
Rot. Bonds1

About 5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline

5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 80554836) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID80554836
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(N3CC4(CC4)C3)c1)CCNC2
InChIInChI=1S/C14H18N2/c1-2-11-8-15-7-4-12(11)13(3-1)16-9-14(10-16)5-6-14/h1-3,15H,4-10H2
InChIKeyPRSSZQAUXIIJDD-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline (CID 80554836) is 5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline is c1cc2c(c(N3CC4(CC4)C3)c1)CCNC2.
What is the InChIKey of 5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PRSSZQAUXIIJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-11-8-15-7-4-12(11)13(3-1)16-9-14(10-16)5-6-14/h1-3,15H,4-10H2.
What are the key properties of 5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline?
5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 214.31 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-azaspiro[2.3]hexan-5-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 80554836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).