tert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate

C18H32N2O2 — CID 68829044

IUPACtert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(NC1CCCCC1)C2
InChIInChI=1S/C18H32N2O2/c1-18(2,3)22-17(21)20-15-9-10-16(20)12-14(11-15)19-13-7-5-4-6-8-13/h13-16,19H,4-12H2,1-3H3
InChIKeyBIMPXNHOTXNBME-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.84
Rot. Bonds2

About tert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 68829044) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is tert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID68829044
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Nametert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(NC1CCCCC1)C2
InChIInChI=1S/C18H32N2O2/c1-18(2,3)22-17(21)20-15-9-10-16(20)12-14(11-15)19-13-7-5-4-6-8-13/h13-16,19H,4-12H2,1-3H3
InChIKeyBIMPXNHOTXNBME-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 68829044) is tert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1CC(NC1CCCCC1)C2.
What is the InChIKey of tert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is BIMPXNHOTXNBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-18(2,3)22-17(21)20-15-9-10-16(20)12-14(11-15)19-13-7-5-4-6-8-13/h13-16,19H,4-12H2,1-3H3.
What are the key properties of tert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 308.47 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclohexylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 68829044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).