1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

C31H47N — CID 153348951

IUPAC1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)c1ccc2c(c1)CCC(C(C)C)C2.CC(C)c1ccc2c(c1)CCCN2C(C)C
InChIInChI=1S/C16H24.C15H23N/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)13-7-8-15-14(10-13)6-5-9-16(15)12(3)4/h5,7,9,11-12,14H,6,8,10H2,1-4H3;7-8,10-12H,5-6,9H2,1-4H3
InChIKeyWERGBZQHOGSHCS-UHFFFAOYSA-N
MW433.72 g/mol
LogP8.54
Rot. Bonds4

About 1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 153348951) has the molecular formula C31H47N and a molecular weight of 433.72 g/mol. Its IUPAC name is 1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
PubChem CID153348951
Molecular FormulaC31H47N
Molecular Weight433.72 g/mol
Exact Mass433.37
IUPAC Name1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)c1ccc2c(c1)CCC(C(C)C)C2.CC(C)c1ccc2c(c1)CCCN2C(C)C
InChIInChI=1S/C16H24.C15H23N/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)13-7-8-15-14(10-13)6-5-9-16(15)12(3)4/h5,7,9,11-12,14H,6,8,10H2,1-4H3;7-8,10-12H,5-6,9H2,1-4H3
InChIKeyWERGBZQHOGSHCS-UHFFFAOYSA-N
XLogP8.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 177260649
(2S)-6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55272655
N-methyl-1-(1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinolin-2-yl)methanamine
CID 84627291
1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydro-2H-quinoline;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline
CID 161067768
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinolin-2-ol
CID 90974062
6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 140655860
1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
CID 146522036
1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline
CID 135200255
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
1,2-dimethyl-7-propan-2-yl-3,4-dihydro-2H-quinoline
CID 141033194
2,3-dihydro-1H-inden-5-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126500

Frequently Asked Questions

What is the IUPAC name of 1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 153348951) is 1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene is CC(C)c1ccc2c(c1)CCC(C(C)C)C2.CC(C)c1ccc2c(c1)CCCN2C(C)C.
What is the InChIKey of 1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WERGBZQHOGSHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.C15H23N/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)13-7-8-15-14(10-13)6-5-9-16(15)12(3)4/h5,7,9,11-12,14H,6,8,10H2,1-4H3;7-8,10-12H,5-6,9H2,1-4H3.
What are the key properties of 1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 433.72 g/mol, XLogP of 8.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 153348951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).