3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide

C13H22N2O — CID 103813103

IUPAC3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
SMILESCC(C)(CN)C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C13H22N2O/c1-13(2,6-14)12(16)15-11-9-7-3-4-8(5-7)10(9)11/h7-11H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyGZBROTFTUCNPDV-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.13
Rot. Bonds3

About 3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide

3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide (PubChem CID 103813103) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
PubChem CID103813103
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
SMILESCC(C)(CN)C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C13H22N2O/c1-13(2,6-14)12(16)15-11-9-7-3-4-8(5-7)10(9)11/h7-11H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyGZBROTFTUCNPDV-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
CID 106509833
3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
CID 106114303
4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide
CID 103798203
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 94415384
3-amino-2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 80717739
3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride
CID 119864814
3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride
CID 119750378
1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea
CID 103793569
(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide
CID 103798202
(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide
CID 113315069
3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
CID 103966047
3-amino-2,2-dimethylpropanehydrazide
CID 115426740

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide (CID 103813103) is 3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide is CC(C)(CN)C(=O)NC1C2C3CCC(C3)C12.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
The InChIKey is GZBROTFTUCNPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,6-14)12(16)15-11-9-7-3-4-8(5-7)10(9)11/h7-11H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide has a molecular weight of 222.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide is sourced from PubChem (CID 103813103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).