1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline

C17H25N — CID 64738857

IUPAC1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCC(C2NCCc3ccccc32)CC1C
InChIInChI=1S/C17H25N/c1-12-7-8-15(11-13(12)2)17-16-6-4-3-5-14(16)9-10-18-17/h3-6,12-13,15,17-18H,7-11H2,1-2H3
InChIKeyCHMUZGGDACUZJW-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.95
Rot. Bonds1

About 1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline

1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64738857) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID64738857
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCC(C2NCCc3ccccc32)CC1C
InChIInChI=1S/C17H25N/c1-12-7-8-15(11-13(12)2)17-16-6-4-3-5-14(16)9-10-18-17/h3-6,12-13,15,17-18H,7-11H2,1-2H3
InChIKeyCHMUZGGDACUZJW-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline (CID 64738857) is 1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline is CC1CCC(C2NCCc3ccccc32)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CHMUZGGDACUZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-7-8-15(11-13(12)2)17-16-6-4-3-5-14(16)9-10-18-17/h3-6,12-13,15,17-18H,7-11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline?
1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 243.39 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64738857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).