2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide

C13H24N2O — CID 77045509

IUPAC2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C13H24N2O/c1-13(2,3)11(14)12(16)15-10-7-8-4-5-9(10)6-8/h8-11H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyASMOXCUUWHZCLA-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.66
Rot. Bonds2

About 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide

2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide (PubChem CID 77045509) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide
PubChem CID77045509
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C13H24N2O/c1-13(2,3)11(14)12(16)15-10-7-8-4-5-9(10)6-8/h8-11H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyASMOXCUUWHZCLA-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
CID 79012677
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride
CID 119327587
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
CID 98231847
2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride
CID 119957470
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbutanamide
CID 104908561
N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide
CID 114328764
(2S)-2-amino-3,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80721257
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
(2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide
CID 103812752
(2R)-2-amino-N-(2,3-dimethylcyclopentyl)-3,3-dimethylbutanamide
CID 103930053
2-amino-N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 68925169

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide (CID 77045509) is 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)NC1CC2CCC1C2.
What is the InChIKey of 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide?
The InChIKey is ASMOXCUUWHZCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,3)11(14)12(16)15-10-7-8-4-5-9(10)6-8/h8-11H,4-7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide?
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide has a molecular weight of 224.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 77045509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).