(6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline

C11H17N — CID 89023959

IUPAC(6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline
SMILESC[C@H]1C=C2CCN(C)CC2=CC1
InChIInChI=1S/C11H17N/c1-9-3-4-11-8-12(2)6-5-10(11)7-9/h4,7,9H,3,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyXGYGOHKFUXERBN-SECBINFHSA-N
MW163.26 g/mol
LogP2.21
Rot. Bonds

About (6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline

(6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline (PubChem CID 89023959) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline.

Molecular Properties

Compound Name(6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline
PubChem CID89023959
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline
SMILESC[C@H]1C=C2CCN(C)CC2=CC1
InChIInChI=1S/C11H17N/c1-9-3-4-11-8-12(2)6-5-10(11)7-9/h4,7,9H,3,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyXGYGOHKFUXERBN-SECBINFHSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline?
The IUPAC name of (6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline (CID 89023959) is (6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline.
What is the SMILES notation for (6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline?
The canonical SMILES for (6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline is C[C@H]1C=C2CCN(C)CC2=CC1.
What is the InChIKey of (6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline?
The InChIKey is XGYGOHKFUXERBN-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N/c1-9-3-4-11-8-12(2)6-5-10(11)7-9/h4,7,9H,3,5-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline?
(6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline has a molecular weight of 163.26 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,6-dimethyl-3,4,6,7-tetrahydro-1H-isoquinoline is sourced from PubChem (CID 89023959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).