N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide

C13H24N2O — CID 94547727

IUPACN-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C13H24N2O/c1-4-13(2,3)12(16)15-11-7-9-5-6-10(8-11)14-9/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9-,10+,11?
InChIKeyVDBBGJNHAQVYDO-ZACCUICWSA-N
MW224.35 g/mol
LogP1.82
Rot. Bonds3

About N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide

N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide (PubChem CID 94547727) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide
PubChem CID94547727
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C13H24N2O/c1-4-13(2,3)12(16)15-11-7-9-5-6-10(8-11)14-9/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9-,10+,11?
InChIKeyVDBBGJNHAQVYDO-ZACCUICWSA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide?
The IUPAC name of N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide (CID 94547727) is N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide?
The InChIKey is VDBBGJNHAQVYDO-ZACCUICWSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-13(2,3)12(16)15-11-7-9-5-6-10(8-11)14-9/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9-,10+,11?.
What are the key properties of N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide?
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide has a molecular weight of 224.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylbutanamide is sourced from PubChem (CID 94547727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).