6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C15H21N — CID 168889770

IUPAC6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)c1cc2c(cc1C1CC1)CCNC2
InChIInChI=1S/C15H21N/c1-10(2)14-8-13-9-16-6-5-12(13)7-15(14)11-3-4-11/h7-8,10-11,16H,3-6,9H2,1-2H3
InChIKeyZSXXOGZUOYFQFE-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.33
Rot. Bonds2

About 6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 168889770) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID168889770
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)c1cc2c(cc1C1CC1)CCNC2
InChIInChI=1S/C15H21N/c1-10(2)14-8-13-9-16-6-5-12(13)7-15(14)11-3-4-11/h7-8,10-11,16H,3-6,9H2,1-2H3
InChIKeyZSXXOGZUOYFQFE-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 168889770) is 6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is CC(C)c1cc2c(cc1C1CC1)CCNC2.
What is the InChIKey of 6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZSXXOGZUOYFQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-10(2)14-8-13-9-16-6-5-12(13)7-15(14)11-3-4-11/h7-8,10-11,16H,3-6,9H2,1-2H3.
What are the key properties of 6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 215.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 168889770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).