1,8-di(propan-2-yl)isoquinoline

C15H19N — CID 170669302

IUPAC1,8-di(propan-2-yl)isoquinoline
SMILESCC(C)c1cccc2ccnc(C(C)C)c12
InChIInChI=1S/C15H19N/c1-10(2)13-7-5-6-12-8-9-16-15(11(3)4)14(12)13/h5-11H,1-4H3
InChIKeyJUSBLIRYSINYJU-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.48
Rot. Bonds2

About 1,8-di(propan-2-yl)isoquinoline

1,8-di(propan-2-yl)isoquinoline (PubChem CID 170669302) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,8-di(propan-2-yl)isoquinoline.

Molecular Properties

Compound Name1,8-di(propan-2-yl)isoquinoline
PubChem CID170669302
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1,8-di(propan-2-yl)isoquinoline
SMILESCC(C)c1cccc2ccnc(C(C)C)c12
InChIInChI=1S/C15H19N/c1-10(2)13-7-5-6-12-8-9-16-15(11(3)4)14(12)13/h5-11H,1-4H3
InChIKeyJUSBLIRYSINYJU-UHFFFAOYSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,8-di(propan-2-yl)isoquinoline?
The IUPAC name of 1,8-di(propan-2-yl)isoquinoline (CID 170669302) is 1,8-di(propan-2-yl)isoquinoline.
What is the SMILES notation for 1,8-di(propan-2-yl)isoquinoline?
The canonical SMILES for 1,8-di(propan-2-yl)isoquinoline is CC(C)c1cccc2ccnc(C(C)C)c12.
What is the InChIKey of 1,8-di(propan-2-yl)isoquinoline?
The InChIKey is JUSBLIRYSINYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-10(2)13-7-5-6-12-8-9-16-15(11(3)4)14(12)13/h5-11H,1-4H3.
What are the key properties of 1,8-di(propan-2-yl)isoquinoline?
1,8-di(propan-2-yl)isoquinoline has a molecular weight of 213.32 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-di(propan-2-yl)isoquinoline is sourced from PubChem (CID 170669302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).