7-tert-butyl-6-propylquinoline;ethane;methane

C19H31N — CID 164925406

IUPAC7-tert-butyl-6-propylquinoline;ethane;methane
SMILESC.CC.CCCc1cc2cccnc2cc1C(C)(C)C
InChIInChI=1S/C16H21N.C2H6.CH4/c1-5-7-12-10-13-8-6-9-17-15(13)11-14(12)16(2,3)4;1-2;/h6,8-11H,5,7H2,1-4H3;1-2H3;1H4
InChIKeyQGHWHBVHTQHNSX-UHFFFAOYSA-N
MW273.46 g/mol
LogP6.15
Rot. Bonds2

About 7-tert-butyl-6-propylquinoline;ethane;methane

7-tert-butyl-6-propylquinoline;ethane;methane (PubChem CID 164925406) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 7-tert-butyl-6-propylquinoline;ethane;methane.

Molecular Properties

Compound Name7-tert-butyl-6-propylquinoline;ethane;methane
PubChem CID164925406
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name7-tert-butyl-6-propylquinoline;ethane;methane
SMILESC.CC.CCCc1cc2cccnc2cc1C(C)(C)C
InChIInChI=1S/C16H21N.C2H6.CH4/c1-5-7-12-10-13-8-6-9-17-15(13)11-14(12)16(2,3)4;1-2;/h6,8-11H,5,7H2,1-4H3;1-2H3;1H4
InChIKeyQGHWHBVHTQHNSX-UHFFFAOYSA-N
XLogP6.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;6-ethyl-7-fluoroquinoline
CID 142320503
2-tert-butyl-3-propylquinoline
CID 102039878
6,7-di(propan-2-yl)quinoline;ethane
CID 157071831
N-ethyl-3-propylquinolin-2-amine
CID 63232591
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
3-propyl-2-(trifluoromethyl)pyridine
CID 19881646
bis(2,2-dimethylpropane);ethane;quinoline
CID 159309624
5,8-ditert-butylquinoline;ethane
CID 142102448
ethane;3-propylpyridin-2-amine
CID 176926436
3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
CID 116997321
2,3-dipropylpyridine
CID 19593488
2-methyl-3-propylpyridine
CID 18662893

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-6-propylquinoline;ethane;methane?
The IUPAC name of 7-tert-butyl-6-propylquinoline;ethane;methane (CID 164925406) is 7-tert-butyl-6-propylquinoline;ethane;methane.
What is the SMILES notation for 7-tert-butyl-6-propylquinoline;ethane;methane?
The canonical SMILES for 7-tert-butyl-6-propylquinoline;ethane;methane is C.CC.CCCc1cc2cccnc2cc1C(C)(C)C.
What is the InChIKey of 7-tert-butyl-6-propylquinoline;ethane;methane?
The InChIKey is QGHWHBVHTQHNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N.C2H6.CH4/c1-5-7-12-10-13-8-6-9-17-15(13)11-14(12)16(2,3)4;1-2;/h6,8-11H,5,7H2,1-4H3;1-2H3;1H4.
What are the key properties of 7-tert-butyl-6-propylquinoline;ethane;methane?
7-tert-butyl-6-propylquinoline;ethane;methane has a molecular weight of 273.46 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-6-propylquinoline;ethane;methane is sourced from PubChem (CID 164925406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).