tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane

C16H32N2O2 — CID 153403832

IUPACtert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane
SMILESC.CC(C)N1C2CCC1CC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H28N2O2.CH4/c1-10(2)17-12-6-7-13(17)9-11(8-12)16-14(18)19-15(3,4)5;/h10-13H,6-9H2,1-5H3,(H,16,18);1H4
InChIKeyHUTORIXIHLVKLL-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.55
Rot. Bonds2

About tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane

tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane (PubChem CID 153403832) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane.

Molecular Properties

Compound Nametert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane
PubChem CID153403832
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane
SMILESC.CC(C)N1C2CCC1CC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H28N2O2.CH4/c1-10(2)17-12-6-7-13(17)9-11(8-12)16-14(18)19-15(3,4)5;/h10-13H,6-9H2,1-5H3,(H,16,18);1H4
InChIKeyHUTORIXIHLVKLL-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane with MolForge

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Related Compounds

tert-Butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 22570519
Tert-butyl 2-(2-aminoethyl)piperidine-1-carboxylate
CID 2756421
rac-tert-butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11218405
Exo-3-(boc-amino)-8-azabicyclo[3.2.1]octane
CID 14774663
tert-butyl N-(1-(3-aminopropyl)piperidin-4-yl)carbamate
CID 19420460
tert-butyl N-[1-(pyrrolidin-3-yl)piperidin-4-yl]carbamate
CID 42614604
tert-butyl N-methyl-N-[2-(piperidin-2-yl)ethyl]carbamate
CID 43187181
tert-butyl N-(2-methylpiperidin-4-yl)carbamate
CID 57897733
tert-Butyl 3-(ethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 61238622
tert-Butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 61238778
Tert-butyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 61238944
Tert-butyl 4-amino-2,6-dimethylpiperidine-1-carboxylate
CID 118209048

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane?
The IUPAC name of tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane (CID 153403832) is tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane.
What is the SMILES notation for tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane?
The canonical SMILES for tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane is C.CC(C)N1C2CCC1CC(NC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane?
The InChIKey is HUTORIXIHLVKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.CH4/c1-10(2)17-12-6-7-13(17)9-11(8-12)16-14(18)19-15(3,4)5;/h10-13H,6-9H2,1-5H3,(H,16,18);1H4.
What are the key properties of tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane?
tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane has a molecular weight of 284.44 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane is sourced from PubChem (CID 153403832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).