3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide

C10H22N2O2 — CID 106276316

IUPAC3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(O)CCNCC(C)(C)C(N)=O
InChIInChI=1S/C10H22N2O2/c1-9(2,8(11)13)7-12-6-5-10(3,4)14/h12,14H,5-7H2,1-4H3,(H2,11,13)
InChIKeyWLINVNBYFDYLPY-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds6

About 3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide

3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide (PubChem CID 106276316) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide
PubChem CID106276316
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(O)CCNCC(C)(C)C(N)=O
InChIInChI=1S/C10H22N2O2/c1-9(2,8(11)13)7-12-6-5-10(3,4)14/h12,14H,5-7H2,1-4H3,(H2,11,13)
InChIKeyWLINVNBYFDYLPY-UHFFFAOYSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethylamino)-2,2-dimethylpropanamide
CID 106276159
2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide
CID 106275046
ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate
CID 106276054
2,2-dimethyl-3-(4-methylpentylamino)propanamide
CID 102672838
2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide
CID 106237934
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
2,2-dimethyl-3-(2-phenylethylamino)propanamide
CID 103617251
3-[(3-hydroxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
CID 79355887
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate
CID 106276443
2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol
CID 79551403
4-amino-2,2-dimethylbutanamide
CID 23366310
4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 106146641

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide (CID 106276316) is 3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide is CC(C)(O)CCNCC(C)(C)C(N)=O.
What is the InChIKey of 3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide?
The InChIKey is WLINVNBYFDYLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(2,8(11)13)7-12-6-5-10(3,4)14/h12,14H,5-7H2,1-4H3,(H2,11,13).
What are the key properties of 3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide?
3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide has a molecular weight of 202.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106276316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).