tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate

C17H30N2O2 — CID 63422419

IUPACtert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate
SMILESCC(NC1CN(C(=O)OC(C)(C)C)C1)C1CC2CCC1C2
InChIInChI=1S/C17H30N2O2/c1-11(15-8-12-5-6-13(15)7-12)18-14-9-19(10-14)16(20)21-17(2,3)4/h11-15,18H,5-10H2,1-4H3
InChIKeyOXNILZQTTKFMTM-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate

tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate (PubChem CID 63422419) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate
PubChem CID63422419
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nametert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate
SMILESCC(NC1CN(C(=O)OC(C)(C)C)C1)C1CC2CCC1C2
InChIInChI=1S/C17H30N2O2/c1-11(15-8-12-5-6-13(15)7-12)18-14-9-19(10-14)16(20)21-17(2,3)4/h11-15,18H,5-10H2,1-4H3
InChIKeyOXNILZQTTKFMTM-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 106636352
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
CID 98119580
tert-butyl 3-[(1-cyano-2-methylpropyl)amino]azetidine-1-carboxylate
CID 121209947
tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate
CID 107241780
tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 130340834
tert-butyl 3-[(3-propan-2-ylcyclobutyl)amino]azetidine-1-carboxylate
CID 103578453
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723595
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43178308
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-ethylcyclohexan-1-amine
CID 43081276
tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate
CID 107241913
tert-butyl 8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 58338096

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate (CID 63422419) is tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate is CC(NC1CN(C(=O)OC(C)(C)C)C1)C1CC2CCC1C2.
What is the InChIKey of tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate?
The InChIKey is OXNILZQTTKFMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11(15-8-12-5-6-13(15)7-12)18-14-9-19(10-14)16(20)21-17(2,3)4/h11-15,18H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate?
tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate has a molecular weight of 294.44 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate is sourced from PubChem (CID 63422419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).