(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline

C13H17N — CID 139325811

IUPAC(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESC[C@H]1Cc2ccccc2N[C@H]1C1CC1
InChIInChI=1S/C13H17N/c1-9-8-11-4-2-3-5-12(11)14-13(9)10-6-7-10/h2-5,9-10,13-14H,6-8H2,1H3/t9-,13+/m0/s1
InChIKeyHFDIAUXKVFLAJN-TVQRCGJNSA-N
MW187.29 g/mol
LogP3.07
Rot. Bonds1

About (2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline

(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 139325811) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID139325811
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESC[C@H]1Cc2ccccc2N[C@H]1C1CC1
InChIInChI=1S/C13H17N/c1-9-8-11-4-2-3-5-12(11)14-13(9)10-6-7-10/h2-5,9-10,13-14H,6-8H2,1H3/t9-,13+/m0/s1
InChIKeyHFDIAUXKVFLAJN-TVQRCGJNSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106781039
2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106779529
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780788
(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 15312191
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
2-cyclohexyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165487729
(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139326096
2-(2-cyclopropylethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106779885
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 135040904
3-methyl-2-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 115503214

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline (CID 139325811) is (2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline is C[C@H]1Cc2ccccc2N[C@H]1C1CC1.
What is the InChIKey of (2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HFDIAUXKVFLAJN-TVQRCGJNSA-N. The full InChI is InChI=1S/C13H17N/c1-9-8-11-4-2-3-5-12(11)14-13(9)10-6-7-10/h2-5,9-10,13-14H,6-8H2,1H3/t9-,13+/m0/s1.
What are the key properties of (2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline?
(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 187.29 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 139325811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).