N-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

C12H22N2O — CID 146213896

IUPACN-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCN1C2CCC(C2)C1C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O/c1-12(2,3)13-11(15)10-8-5-6-9(7-8)14(10)4/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyLORIJJFIEPEUOF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.38
Rot. Bonds1

About N-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

N-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 146213896) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID146213896
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCN1C2CCC(C2)C1C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O/c1-12(2,3)13-11(15)10-8-5-6-9(7-8)14(10)4/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyLORIJJFIEPEUOF-UHFFFAOYSA-N
XLogP1.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of N-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 146213896) is N-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is CN1C2CCC(C2)C1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is LORIJJFIEPEUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)13-11(15)10-8-5-6-9(7-8)14(10)4/h8-10H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
N-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 146213896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).