(2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline

C16H25N — CID 139220190

IUPAC(2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESC[C@H]1C[C@](C)(CC(C)(C)C)c2ccccc2N1
InChIInChI=1S/C16H25N/c1-12-10-16(5,11-15(2,3)4)13-8-6-7-9-14(13)17-12/h6-9,12,17H,10-11H2,1-5H3/t12-,16+/m0/s1
InChIKeyLWTCXMVNZSAESS-BLLLJJGKSA-N
MW231.38 g/mol
LogP4.58
Rot. Bonds1

About (2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline

(2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline (PubChem CID 139220190) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name(2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline
PubChem CID139220190
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESC[C@H]1C[C@](C)(CC(C)(C)C)c2ccccc2N1
InChIInChI=1S/C16H25N/c1-12-10-16(5,11-15(2,3)4)13-8-6-7-9-14(13)17-12/h6-9,12,17H,10-11H2,1-5H3/t12-,16+/m0/s1
InChIKeyLWTCXMVNZSAESS-BLLLJJGKSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,2-dimethylpropyl)-4-methyl-2-phenyl-2,3-dihydro-1H-quinoline
CID 139220169
(2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline
CID 139220185
2,3,3-trimethyl-1,2-dihydroindole
CID 10942760
(1R,4S,7S,9R)-4,9-dimethyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
CID 174358487
2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline
CID 117272177
(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole
CID 141076410
4-ethyl-4-methyl-1,3-dihydroquinolin-2-one
CID 126504944
9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole
CID 146498779
2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975
4a-methyl-3,4,9,9a-tetrahydrocarbazole
CID 163544373
(2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one
CID 154287674
9-ethyl-9-methyl-10H-acridine
CID 22754271

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline?
The IUPAC name of (2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline (CID 139220190) is (2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for (2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for (2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline is C[C@H]1C[C@](C)(CC(C)(C)C)c2ccccc2N1.
What is the InChIKey of (2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline?
The InChIKey is LWTCXMVNZSAESS-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H25N/c1-12-10-16(5,11-15(2,3)4)13-8-6-7-9-14(13)17-12/h6-9,12,17H,10-11H2,1-5H3/t12-,16+/m0/s1.
What are the key properties of (2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline?
(2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline has a molecular weight of 231.38 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 139220190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).