(7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline

C11H17N — CID 89023965

IUPAC(7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline
SMILESC[C@@H]1C=C2C(=CC1)CCCN2C
InChIInChI=1S/C11H17N/c1-9-5-6-10-4-3-7-12(2)11(10)8-9/h6,8-9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyNGEBDQRALUPREV-VIFPVBQESA-N
MW163.26 g/mol
LogP2.56
Rot. Bonds

About (7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline

(7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline (PubChem CID 89023965) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name(7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline
PubChem CID89023965
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline
SMILESC[C@@H]1C=C2C(=CC1)CCCN2C
InChIInChI=1S/C11H17N/c1-9-5-6-10-4-3-7-12(2)11(10)8-9/h6,8-9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyNGEBDQRALUPREV-VIFPVBQESA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline?
The IUPAC name of (7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline (CID 89023965) is (7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline.
What is the SMILES notation for (7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline?
The canonical SMILES for (7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline is C[C@@H]1C=C2C(=CC1)CCCN2C.
What is the InChIKey of (7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline?
The InChIKey is NGEBDQRALUPREV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N/c1-9-5-6-10-4-3-7-12(2)11(10)8-9/h6,8-9H,3-5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline?
(7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline has a molecular weight of 163.26 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline is sourced from PubChem (CID 89023965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).