1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

C14H19N — CID 62373264

IUPAC1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc(C)c2c(c1)CCNC2C1CC1
InChIInChI=1S/C14H19N/c1-9-7-10(2)13-12(8-9)5-6-15-14(13)11-3-4-11/h7-8,11,14-15H,3-6H2,1-2H3
InChIKeyVGGSEIGMYQIPFS-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.90
Rot. Bonds1

About 1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62373264) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID62373264
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc(C)c2c(c1)CCNC2C1CC1
InChIInChI=1S/C14H19N/c1-9-7-10(2)13-12(8-9)5-6-15-14(13)11-3-4-11/h7-8,11,14-15H,3-6H2,1-2H3
InChIKeyVGGSEIGMYQIPFS-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 62373264) is 1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline is Cc1cc(C)c2c(c1)CCNC2C1CC1.
What is the InChIKey of 1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VGGSEIGMYQIPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-9-7-10(2)13-12(8-9)5-6-15-14(13)11-3-4-11/h7-8,11,14-15H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline?
1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 201.31 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62373264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).