(2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline

C12H17N — CID 95427024

IUPAC(2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c2c(c1)N[C@H](C)CC2
InChIInChI=1S/C12H17N/c1-8-6-9(2)11-5-4-10(3)13-12(11)7-8/h6-7,10,13H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyHXQRWDSVQPKXGJ-SNVBAGLBSA-N
MW175.27 g/mol
LogP3.05
Rot. Bonds

About (2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline

(2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline (PubChem CID 95427024) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline
PubChem CID95427024
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c2c(c1)N[C@H](C)CC2
InChIInChI=1S/C12H17N/c1-8-6-9(2)11-5-4-10(3)13-12(11)7-8/h6-7,10,13H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyHXQRWDSVQPKXGJ-SNVBAGLBSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline
CID 124706639
ethane;1,4,6-trimethyl-2,3-dihydro-1H-indene
CID 142400897
5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82213232
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 5150094
(2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 96570849
(1S)-4,6-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 67058283
6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106882345
(2S,4R)-6,8-dimethyl-2-(2-methylprop-1-enyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 71504107
2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275992
5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55291712
(2S)-2,6-dimethyl-2,3-dihydro-1H-indole
CID 130731712

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline (CID 95427024) is (2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline is Cc1cc(C)c2c(c1)N[C@H](C)CC2.
What is the InChIKey of (2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HXQRWDSVQPKXGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N/c1-8-6-9(2)11-5-4-10(3)13-12(11)7-8/h6-7,10,13H,4-5H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline?
(2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 175.27 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 95427024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).