2-tert-butylquinolin-8-amine

C13H16N2 — CID 119094982

IUPAC2-tert-butylquinolin-8-amine
SMILESCC(C)(C)c1ccc2cccc(N)c2n1
InChIInChI=1S/C13H16N2/c1-13(2,3)11-8-7-9-5-4-6-10(14)12(9)15-11/h4-8H,14H2,1-3H3
InChIKeyMTPUXEIATOHPCE-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.11
Rot. Bonds

About 2-tert-butylquinolin-8-amine

2-tert-butylquinolin-8-amine (PubChem CID 119094982) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-tert-butylquinolin-8-amine.

Molecular Properties

Compound Name2-tert-butylquinolin-8-amine
PubChem CID119094982
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-tert-butylquinolin-8-amine
SMILESCC(C)(C)c1ccc2cccc(N)c2n1
InChIInChI=1S/C13H16N2/c1-13(2,3)11-8-7-9-5-4-6-10(14)12(9)15-11/h4-8H,14H2,1-3H3
InChIKeyMTPUXEIATOHPCE-UHFFFAOYSA-N
XLogP3.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethyl)quinolin-8-amine
CID 129451588
2,4-ditert-butylquinolin-8-amine
CID 153459078
2-(aminomethyl)quinolin-8-amine
CID 11715256
2-N,2-N-diethylquinoline-2,8-diamine
CID 105469074
ethane;quinolin-8-amine
CID 91158659
2-tert-butylquinoline;methane
CID 164995315
2-tert-butylphenanthro[9,10-b]pyridine
CID 90180532
2-phenylquinolin-8-amine
CID 19955861
8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline
CID 126544065
N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine
CID 101430447
2-[2-(1,10-phenanthrolin-2-yl)propan-2-yl]-1,10-phenanthroline
CID 139174668
4-(6-tert-butyl-2-pyridinyl)aniline
CID 10105113

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylquinolin-8-amine?
The IUPAC name of 2-tert-butylquinolin-8-amine (CID 119094982) is 2-tert-butylquinolin-8-amine.
What is the SMILES notation for 2-tert-butylquinolin-8-amine?
The canonical SMILES for 2-tert-butylquinolin-8-amine is CC(C)(C)c1ccc2cccc(N)c2n1.
What is the InChIKey of 2-tert-butylquinolin-8-amine?
The InChIKey is MTPUXEIATOHPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-13(2,3)11-8-7-9-5-4-6-10(14)12(9)15-11/h4-8H,14H2,1-3H3.
What are the key properties of 2-tert-butylquinolin-8-amine?
2-tert-butylquinolin-8-amine has a molecular weight of 200.28 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylquinolin-8-amine is sourced from PubChem (CID 119094982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).