tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate

C17H32N2O2 — CID 170205199

IUPACtert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate
SMILESCCC12CC(CCN)CN(C(=O)OC(C)(C)C)CCC1C2
InChIInChI=1S/C17H32N2O2/c1-5-17-10-13(6-8-18)12-19(9-7-14(17)11-17)15(20)21-16(2,3)4/h13-14H,5-12,18H2,1-4H3
InChIKeyLZUPCFGNDHDNIA-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.40
Rot. Bonds3

About tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate

tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate (PubChem CID 170205199) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate
PubChem CID170205199
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate
SMILESCCC12CC(CCN)CN(C(=O)OC(C)(C)C)CCC1C2
InChIInChI=1S/C17H32N2O2/c1-5-17-10-13(6-8-18)12-19(9-7-14(17)11-17)15(20)21-16(2,3)4/h13-14H,5-12,18H2,1-4H3
InChIKeyLZUPCFGNDHDNIA-UHFFFAOYSA-N
XLogP3.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate with MolForge

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Related Compounds

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CID 83488042
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tert-butyl 2-(2-aminoethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 155438113
tert-butyl (1R,6R)-6-(aminomethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 98123514
tert-butyl 3-(3-aminopropyl)piperidine-1-carboxylate
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tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl 3-(2-aminoethylsulfanyl)pyrrolidine-1-carboxylate
CID 66564533
tert-butyl 3-(2-aminoethylsulfanylmethyl)pyrrolidine-1-carboxylate
CID 66564538
tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 152550195
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate?
The IUPAC name of tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate (CID 170205199) is tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate?
The canonical SMILES for tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate is CCC12CC(CCN)CN(C(=O)OC(C)(C)C)CCC1C2.
What is the InChIKey of tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate?
The InChIKey is LZUPCFGNDHDNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-17-10-13(6-8-18)12-19(9-7-14(17)11-17)15(20)21-16(2,3)4/h13-14H,5-12,18H2,1-4H3.
What are the key properties of tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate?
tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-aminoethyl)-8-ethyl-4-azabicyclo[6.1.0]nonane-4-carboxylate is sourced from PubChem (CID 170205199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).