(5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline

C11H15N — CID 13308943

IUPAC(5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline
SMILESCc1ccc2c(n1)CCC[C@H]2C
InChIInChI=1S/C11H15N/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h6-8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyCJDDOHPPRKLEKF-MRVPVSSYSA-N
MW161.25 g/mol
LogP2.83
Rot. Bonds

About (5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline

(5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline (PubChem CID 13308943) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline
PubChem CID13308943
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline
SMILESCc1ccc2c(n1)CCC[C@H]2C
InChIInChI=1S/C11H15N/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h6-8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyCJDDOHPPRKLEKF-MRVPVSSYSA-N
XLogP2.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of (5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline (CID 13308943) is (5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for (5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline is Cc1ccc2c(n1)CCC[C@H]2C.
What is the InChIKey of (5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is CJDDOHPPRKLEKF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h6-8H,3-5H2,1-2H3/t8-/m1/s1.
What are the key properties of (5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline?
(5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 161.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 13308943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).