tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate

C17H26N2O2 — CID 117469487

IUPACtert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(N)Cc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-12(18)10-13-7-8-15-14(11-13)6-5-9-19(15)16(20)21-17(2,3)4/h7-8,11-12H,5-6,9-10,18H2,1-4H3
InChIKeyZBAXONDZIFCTCG-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.26
Rot. Bonds2

About tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 117469487) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID117469487
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(N)Cc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-12(18)10-13-7-8-15-14(11-13)6-5-9-19(15)16(20)21-17(2,3)4/h7-8,11-12H,5-6,9-10,18H2,1-4H3
InChIKeyZBAXONDZIFCTCG-UHFFFAOYSA-N
XLogP3.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate (CID 117469487) is tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate is CC(N)Cc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is ZBAXONDZIFCTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(18)10-13-7-8-15-14(11-13)6-5-9-19(15)16(20)21-17(2,3)4/h7-8,11-12H,5-6,9-10,18H2,1-4H3.
What are the key properties of tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 117469487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).