3-tert-butyl-5-pentan-2-ylquinoline

C18H25N — CID 130267605

IUPAC3-tert-butyl-5-pentan-2-ylquinoline
SMILESCCCC(C)c1cccc2ncc(C(C)(C)C)cc12
InChIInChI=1S/C18H25N/c1-6-8-13(2)15-9-7-10-17-16(15)11-14(12-19-17)18(3,4)5/h7,9-13H,6,8H2,1-5H3
InChIKeyPZQDHHMGDLCJPY-UHFFFAOYSA-N
MW255.40 g/mol
LogP5.44
Rot. Bonds3

About 3-tert-butyl-5-pentan-2-ylquinoline

3-tert-butyl-5-pentan-2-ylquinoline (PubChem CID 130267605) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-tert-butyl-5-pentan-2-ylquinoline.

Molecular Properties

Compound Name3-tert-butyl-5-pentan-2-ylquinoline
PubChem CID130267605
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name3-tert-butyl-5-pentan-2-ylquinoline
SMILESCCCC(C)c1cccc2ncc(C(C)(C)C)cc12
InChIInChI=1S/C18H25N/c1-6-8-13(2)15-9-7-10-17-16(15)11-14(12-19-17)18(3,4)5/h7,9-13H,6,8H2,1-5H3
InChIKeyPZQDHHMGDLCJPY-UHFFFAOYSA-N
XLogP5.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.40
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2S)-butan-2-yl]-5-propan-2-ylquinoline
CID 71189070
N-propyl-3-quinolin-5-ylbutan-1-amine
CID 81223447
5-tert-butyl-3-pentan-2-yl-1H-indole
CID 106985614
4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene
CID 144814038
2-methyl-1-quinolin-5-ylpentan-1-ol
CID 81216641
1-(3-methoxyquinolin-5-yl)ethanol
CID 141175761
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
1-ethyl-2-[(2S)-pentan-2-yl]benzene
CID 144927407
1-tert-butyl-3-fluoro-2-pentan-2-ylbenzene
CID 166767339
5-ethyl-3-(trifluoromethyl)-1,6-naphthyridine
CID 70642178
2-tert-butyl-5-propan-2-ylquinazoline
CID 166928250
2-pentan-2-yl-3-propan-2-ylpyridine
CID 155486125

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-pentan-2-ylquinoline?
The IUPAC name of 3-tert-butyl-5-pentan-2-ylquinoline (CID 130267605) is 3-tert-butyl-5-pentan-2-ylquinoline.
What is the SMILES notation for 3-tert-butyl-5-pentan-2-ylquinoline?
The canonical SMILES for 3-tert-butyl-5-pentan-2-ylquinoline is CCCC(C)c1cccc2ncc(C(C)(C)C)cc12.
What is the InChIKey of 3-tert-butyl-5-pentan-2-ylquinoline?
The InChIKey is PZQDHHMGDLCJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-6-8-13(2)15-9-7-10-17-16(15)11-14(12-19-17)18(3,4)5/h7,9-13H,6,8H2,1-5H3.
What are the key properties of 3-tert-butyl-5-pentan-2-ylquinoline?
3-tert-butyl-5-pentan-2-ylquinoline has a molecular weight of 255.40 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-pentan-2-ylquinoline is sourced from PubChem (CID 130267605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).