N-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide

C12H22N2O — CID 140985509

IUPACN-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide
SMILESCC(C)(C)NC(=O)C12CCCC(CC1)N2
InChIInChI=1S/C12H22N2O/c1-11(2,3)14-10(15)12-7-4-5-9(13-12)6-8-12/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyXKLJQRDDQPFBIW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.58
Rot. Bonds1

About N-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide

N-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 140985509) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide
PubChem CID140985509
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide
SMILESCC(C)(C)NC(=O)C12CCCC(CC1)N2
InChIInChI=1S/C12H22N2O/c1-11(2,3)14-10(15)12-7-4-5-9(13-12)6-8-12/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyXKLJQRDDQPFBIW-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of N-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide (CID 140985509) is N-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for N-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide is CC(C)(C)NC(=O)C12CCCC(CC1)N2.
What is the InChIKey of N-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is XKLJQRDDQPFBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2,3)14-10(15)12-7-4-5-9(13-12)6-8-12/h9,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide?
N-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-8-azabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 140985509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).