3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline

C18H22N2 — CID 142421658

IUPAC3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline
SMILESCC(C)(C)C1C2CN(c3cnc4ccccc4c3)CC21
InChIInChI=1S/C18H22N2/c1-18(2,3)17-14-10-20(11-15(14)17)13-8-12-6-4-5-7-16(12)19-9-13/h4-9,14-15,17H,10-11H2,1-3H3
InChIKeyVKZXWABZGTXUAN-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.96
Rot. Bonds1

About 3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline

3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline (PubChem CID 142421658) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline.

Molecular Properties

Compound Name3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline
PubChem CID142421658
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline
SMILESCC(C)(C)C1C2CN(c3cnc4ccccc4c3)CC21
InChIInChI=1S/C18H22N2/c1-18(2,3)17-14-10-20(11-15(14)17)13-8-12-6-4-5-7-16(12)19-9-13/h4-9,14-15,17H,10-11H2,1-3H3
InChIKeyVKZXWABZGTXUAN-UHFFFAOYSA-N
XLogP3.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-4-quinolin-3-ylmorpholine
CID 135233182
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
6-tert-butyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane
CID 153307051
3-(4,4-difluoropiperidin-1-yl)quinoline
CID 144553377
6-tert-butyl-3-(2-fluoro-4-pyridinyl)-3-azabicyclo[3.1.0]hexane;ethane
CID 142422324
N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62783429
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline
CID 110454729
3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline
CID 62783131
3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline
CID 174498519
3-[4-(2-phenylethyl)piperazin-1-yl]quinoline
CID 174498019
9-quinolin-3-ylcarbazole
CID 138984974

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline?
The IUPAC name of 3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline (CID 142421658) is 3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline.
What is the SMILES notation for 3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline?
The canonical SMILES for 3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline is CC(C)(C)C1C2CN(c3cnc4ccccc4c3)CC21.
What is the InChIKey of 3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline?
The InChIKey is VKZXWABZGTXUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-18(2,3)17-14-10-20(11-15(14)17)13-8-12-6-4-5-7-16(12)19-9-13/h4-9,14-15,17H,10-11H2,1-3H3.
What are the key properties of 3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline?
3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline has a molecular weight of 266.39 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline is sourced from PubChem (CID 142421658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).