7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

C15H23N — CID 64686570

IUPAC7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CNC(C)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C15H23N/c1-10-9-16-11(2)14-8-12(15(3,4)5)6-7-13(10)14/h6-8,10-11,16H,9H2,1-5H3
InChIKeyHCPDCRLXBUUTPP-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.75
Rot. Bonds

About 7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64686570) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64686570
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CNC(C)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C15H23N/c1-10-9-16-11(2)14-8-12(15(3,4)5)6-7-13(10)14/h6-8,10-11,16H,9H2,1-5H3
InChIKeyHCPDCRLXBUUTPP-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 64686570) is 7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline is CC1CNC(C)c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HCPDCRLXBUUTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10-9-16-11(2)14-8-12(15(3,4)5)6-7-13(10)14/h6-8,10-11,16H,9H2,1-5H3.
What are the key properties of 7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 217.36 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64686570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).