tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate

C20H30N2O2 — CID 113467134

IUPACtert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC1CC(NCc2cccc3c2N(C(=O)OC(C)(C)C)CCC3)C1
InChIInChI=1S/C20H30N2O2/c1-14-11-17(12-14)21-13-16-8-5-7-15-9-6-10-22(18(15)16)19(23)24-20(2,3)4/h5,7-8,14,17,21H,6,9-13H2,1-4H3
InChIKeyLRKXZSPLABAIHD-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.26
Rot. Bonds3

About tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 113467134) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID113467134
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Nametert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC1CC(NCc2cccc3c2N(C(=O)OC(C)(C)C)CCC3)C1
InChIInChI=1S/C20H30N2O2/c1-14-11-17(12-14)21-13-16-8-5-7-15-9-6-10-22(18(15)16)19(23)24-20(2,3)4/h5,7-8,14,17,21H,6,9-13H2,1-4H3
InChIKeyLRKXZSPLABAIHD-UHFFFAOYSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate (CID 113467134) is tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate is CC1CC(NCc2cccc3c2N(C(=O)OC(C)(C)C)CCC3)C1.
What is the InChIKey of tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is LRKXZSPLABAIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14-11-17(12-14)21-13-16-8-5-7-15-9-6-10-22(18(15)16)19(23)24-20(2,3)4/h5,7-8,14,17,21H,6,9-13H2,1-4H3.
What are the key properties of tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 330.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 113467134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).