1-tert-butyl-2H-quinolin-3-amine

C13H18N2 — CID 169302716

IUPAC1-tert-butyl-2H-quinolin-3-amine
SMILESCC(C)(C)N1CC(N)=Cc2ccccc21
InChIInChI=1S/C13H18N2/c1-13(2,3)15-9-11(14)8-10-6-4-5-7-12(10)15/h4-8H,9,14H2,1-3H3
InChIKeyBLUPMJUKVIKFOT-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.60
Rot. Bonds

About 1-tert-butyl-2H-quinolin-3-amine

1-tert-butyl-2H-quinolin-3-amine (PubChem CID 169302716) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-tert-butyl-2H-quinolin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-2H-quinolin-3-amine
PubChem CID169302716
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-tert-butyl-2H-quinolin-3-amine
SMILESCC(C)(C)N1CC(N)=Cc2ccccc21
InChIInChI=1S/C13H18N2/c1-13(2,3)15-9-11(14)8-10-6-4-5-7-12(10)15/h4-8H,9,14H2,1-3H3
InChIKeyBLUPMJUKVIKFOT-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2H-quinolin-3-amine?
The IUPAC name of 1-tert-butyl-2H-quinolin-3-amine (CID 169302716) is 1-tert-butyl-2H-quinolin-3-amine.
What is the SMILES notation for 1-tert-butyl-2H-quinolin-3-amine?
The canonical SMILES for 1-tert-butyl-2H-quinolin-3-amine is CC(C)(C)N1CC(N)=Cc2ccccc21.
What is the InChIKey of 1-tert-butyl-2H-quinolin-3-amine?
The InChIKey is BLUPMJUKVIKFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-13(2,3)15-9-11(14)8-10-6-4-5-7-12(10)15/h4-8H,9,14H2,1-3H3.
What are the key properties of 1-tert-butyl-2H-quinolin-3-amine?
1-tert-butyl-2H-quinolin-3-amine has a molecular weight of 202.30 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2H-quinolin-3-amine is sourced from PubChem (CID 169302716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).