tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate

C18H32N2O3 — CID 103786394

IUPACtert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(NC1CC2CCC(C1)N2C(=O)OC(C)(C)C)C1CCOC1
InChIInChI=1S/C18H32N2O3/c1-12(13-7-8-22-11-13)19-14-9-15-5-6-16(10-14)20(15)17(21)23-18(2,3)4/h12-16,19H,5-11H2,1-4H3
InChIKeyQDIVEUTUZVGLKY-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.93
Rot. Bonds3

About tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 103786394) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID103786394
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Nametert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(NC1CC2CCC(C1)N2C(=O)OC(C)(C)C)C1CCOC1
InChIInChI=1S/C18H32N2O3/c1-12(13-7-8-22-11-13)19-14-9-15-5-6-16(10-14)20(15)17(21)23-18(2,3)4/h12-16,19H,5-11H2,1-4H3
InChIKeyQDIVEUTUZVGLKY-UHFFFAOYSA-N
XLogP2.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 115677343
tert-butyl 3-(but-3-yn-2-ylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 114415307
tert-butyl (1S,5S)-3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98122671
tert-butyl (3S)-3-methoxy-4-[1-(oxolan-3-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103904528
tert-butyl 3-[1-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103783530
tert-butyl 2-methyl-3-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 104955738
tert-butyl (1S,5S)-3-hydrazinyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58338154
tert-butyl (4R)-4-[[(1R)-1-(oxan-4-yl)ethyl]amino]azepane-1-carboxylate
CID 99821438
tert-butyl (4S)-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]azepane-1-carboxylate
CID 99821439
2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 115709686
tert-butyl (1S,5R)-3-[(4-methyloxan-4-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 99782089
tert-butyl 3-(1-methylsulfanylbutan-2-ylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103949239

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 103786394) is tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(NC1CC2CCC(C1)N2C(=O)OC(C)(C)C)C1CCOC1.
What is the InChIKey of tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is QDIVEUTUZVGLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-12(13-7-8-22-11-13)19-14-9-15-5-6-16(10-14)20(15)17(21)23-18(2,3)4/h12-16,19H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 324.47 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 103786394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).