(1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide

C13H24N2O — CID 164785292

IUPAC(1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCNC(=O)N1[C@@H]2CC[C@H]1CC(C(C)(C)C)C2
InChIInChI=1S/C13H24N2O/c1-13(2,3)9-7-10-5-6-11(8-9)15(10)12(16)14-4/h9-11H,5-8H2,1-4H3,(H,14,16)/t9?,10-,11+
InChIKeyYEQULIGHJYZESK-FGWVZKOKSA-N
MW224.35 g/mol
LogP2.61
Rot. Bonds

About (1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide

(1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 164785292) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID164785292
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCNC(=O)N1[C@@H]2CC[C@H]1CC(C(C)(C)C)C2
InChIInChI=1S/C13H24N2O/c1-13(2,3)9-7-10-5-6-11(8-9)15(10)12(16)14-4/h9-11H,5-8H2,1-4H3,(H,14,16)/t9?,10-,11+
InChIKeyYEQULIGHJYZESK-FGWVZKOKSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 78955075
1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 70825449
1-[(1S,5R)-3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-(dimethylamino)ethanone
CID 164785458
1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-4,4-dimethylpentan-1-one
CID 171421265
2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59433147
3-tert-butyl-N-methylazetidine-1-carboxamide
CID 164830177
2,2-difluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614205
oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614228
4-tert-butyl-N-methylazepane-1-carboxamide
CID 115631035
dimethyl 4-tert-butylcyclopentane-1,2-dicarboxylate
CID 545084
3-tert-butyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
CID 164835658
2-[8-(tert-butylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608579

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 164785292) is (1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide is CNC(=O)N1[C@@H]2CC[C@H]1CC(C(C)(C)C)C2.
What is the InChIKey of (1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is YEQULIGHJYZESK-FGWVZKOKSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,3)9-7-10-5-6-11(8-9)15(10)12(16)14-4/h9-11H,5-8H2,1-4H3,(H,14,16)/t9?,10-,11+.
What are the key properties of (1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 164785292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).