7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline

C13H17N — CID 79981005

IUPAC7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2ccc(C3CC3)cc2CN1
InChIInChI=1S/C13H17N/c1-9-6-11-4-5-12(10-2-3-10)7-13(11)8-14-9/h4-5,7,9-10,14H,2-3,6,8H2,1H3
InChIKeyARGQIWOQZUCECM-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.60
Rot. Bonds1

About 7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline

7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 79981005) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID79981005
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2ccc(C3CC3)cc2CN1
InChIInChI=1S/C13H17N/c1-9-6-11-4-5-12(10-2-3-10)7-13(11)8-14-9/h4-5,7,9-10,14H,2-3,6,8H2,1H3
InChIKeyARGQIWOQZUCECM-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline (CID 79981005) is 7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline is CC1Cc2ccc(C3CC3)cc2CN1.
What is the InChIKey of 7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ARGQIWOQZUCECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9-6-11-4-5-12(10-2-3-10)7-13(11)8-14-9/h4-5,7,9-10,14H,2-3,6,8H2,1H3.
What are the key properties of 7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline?
7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 187.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 79981005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).