1-(azetidin-1-yl)-5-propan-2-ylisoquinoline

C15H18N2 — CID 176668172

IUPAC1-(azetidin-1-yl)-5-propan-2-ylisoquinoline
SMILESCC(C)c1cccc2c(N3CCC3)nccc12
InChIInChI=1S/C15H18N2/c1-11(2)12-5-3-6-14-13(12)7-8-16-15(14)17-9-4-10-17/h3,5-8,11H,4,9-10H2,1-2H3
InChIKeyYNQZNTBIWDRAAB-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.57
Rot. Bonds2

About 1-(azetidin-1-yl)-5-propan-2-ylisoquinoline

1-(azetidin-1-yl)-5-propan-2-ylisoquinoline (PubChem CID 176668172) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-5-propan-2-ylisoquinoline.

Molecular Properties

Compound Name1-(azetidin-1-yl)-5-propan-2-ylisoquinoline
PubChem CID176668172
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-(azetidin-1-yl)-5-propan-2-ylisoquinoline
SMILESCC(C)c1cccc2c(N3CCC3)nccc12
InChIInChI=1S/C15H18N2/c1-11(2)12-5-3-6-14-13(12)7-8-16-15(14)17-9-4-10-17/h3,5-8,11H,4,9-10H2,1-2H3
InChIKeyYNQZNTBIWDRAAB-UHFFFAOYSA-N
XLogP3.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-5-propan-2-ylisoquinoline?
The IUPAC name of 1-(azetidin-1-yl)-5-propan-2-ylisoquinoline (CID 176668172) is 1-(azetidin-1-yl)-5-propan-2-ylisoquinoline.
What is the SMILES notation for 1-(azetidin-1-yl)-5-propan-2-ylisoquinoline?
The canonical SMILES for 1-(azetidin-1-yl)-5-propan-2-ylisoquinoline is CC(C)c1cccc2c(N3CCC3)nccc12.
What is the InChIKey of 1-(azetidin-1-yl)-5-propan-2-ylisoquinoline?
The InChIKey is YNQZNTBIWDRAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11(2)12-5-3-6-14-13(12)7-8-16-15(14)17-9-4-10-17/h3,5-8,11H,4,9-10H2,1-2H3.
What are the key properties of 1-(azetidin-1-yl)-5-propan-2-ylisoquinoline?
1-(azetidin-1-yl)-5-propan-2-ylisoquinoline has a molecular weight of 226.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-5-propan-2-ylisoquinoline is sourced from PubChem (CID 176668172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).