(2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline

C11H15N — CID 124706639

IUPAC(2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cccc2c1CC[C@H](C)N2
InChIInChI=1S/C11H15N/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h3-5,9,12H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyIKVXOPFJKBIONC-VIFPVBQESA-N
MW161.25 g/mol
LogP2.74
Rot. Bonds

About (2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline

(2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline (PubChem CID 124706639) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline
PubChem CID124706639
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cccc2c1CC[C@H](C)N2
InChIInChI=1S/C11H15N/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h3-5,9,12H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyIKVXOPFJKBIONC-VIFPVBQESA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline (CID 124706639) is (2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline is Cc1cccc2c1CC[C@H](C)N2.
What is the InChIKey of (2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is IKVXOPFJKBIONC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h3-5,9,12H,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline?
(2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 161.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 124706639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).