2-tert-butylquinoline;methane

C14H19N — CID 164995315

IUPAC2-tert-butylquinoline;methane
SMILESC.CC(C)(C)c1ccc2ccccc2n1
InChIInChI=1S/C13H15N.CH4/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;/h4-9H,1-3H3;1H4
InChIKeyHLXNXABCCHGFDP-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.17
Rot. Bonds

About 2-tert-butylquinoline;methane

2-tert-butylquinoline;methane (PubChem CID 164995315) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-tert-butylquinoline;methane.

Molecular Properties

Compound Name2-tert-butylquinoline;methane
PubChem CID164995315
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-tert-butylquinoline;methane
SMILESC.CC(C)(C)c1ccc2ccccc2n1
InChIInChI=1S/C13H15N.CH4/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;/h4-9H,1-3H3;1H4
InChIKeyHLXNXABCCHGFDP-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-phenylpropan-2-yl)quinoline
CID 151236236
2-methyl-2-quinolin-2-ylpropanal
CID 130025083
2-[tris(methylsulfanyl)methyl]quinoline
CID 23583859
2-[2-chloro-4-(3-chloro-3-quinolin-2-ylbutyl)sulfanylbutan-2-yl]quinoline
CID 70533712
ethane;methane;2-methylquinoline
CID 144748871
3-tert-butyl-2-methylquinoline
CID 89390827
2-(1-chloro-1-phenylpropyl)quinoline
CID 163213076
2-iodoquinoline
CID 159061150
2-tert-butyl-6-phenylmethoxyquinoline
CID 20709519
2-tert-butylquinolin-8-amine
CID 119094982
2-fluoroquinoline;methane
CID 156751124
silver quinolin-2-olate
CID 162166701

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylquinoline;methane?
The IUPAC name of 2-tert-butylquinoline;methane (CID 164995315) is 2-tert-butylquinoline;methane.
What is the SMILES notation for 2-tert-butylquinoline;methane?
The canonical SMILES for 2-tert-butylquinoline;methane is C.CC(C)(C)c1ccc2ccccc2n1.
What is the InChIKey of 2-tert-butylquinoline;methane?
The InChIKey is HLXNXABCCHGFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.CH4/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;/h4-9H,1-3H3;1H4.
What are the key properties of 2-tert-butylquinoline;methane?
2-tert-butylquinoline;methane has a molecular weight of 201.31 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylquinoline;methane is sourced from PubChem (CID 164995315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).