3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide

C8H18N2O2 — CID 81414518

IUPAC3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
SMILESCC(C)(CO)CNCCC(N)=O
InChIInChI=1S/C8H18N2O2/c1-8(2,6-11)5-10-4-3-7(9)12/h10-11H,3-6H2,1-2H3,(H2,9,12)
InChIKeyAHXOEKKWRDOTKG-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.53
Rot. Bonds6

About 3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide

3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide (PubChem CID 81414518) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide.

Molecular Properties

Compound Name3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
PubChem CID81414518
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
SMILESCC(C)(CO)CNCCC(N)=O
InChIInChI=1S/C8H18N2O2/c1-8(2,6-11)5-10-4-3-7(9)12/h10-11H,3-6H2,1-2H3,(H2,9,12)
InChIKeyAHXOEKKWRDOTKG-UHFFFAOYSA-N
XLogP-0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.53
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

5-[(3-hydroxy-2,2-dimethylpropyl)amino]pentanamide
CID 106233905
3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide
CID 106176150
6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid
CID 115359916
3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113411282
3-[(2-methylpropan-2-yl)oxymethylamino]propanamide
CID 130284943
ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate
CID 103260351
ethane;3-(ethylamino)propanamide
CID 156743022
3-(2-methoxyethylamino)-2,2-dimethylpropan-1-ol
CID 81413606
3-(aminomethylamino)propanamide
CID 123274483
(2S)-N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125211
3-(1,1-difluoroethylamino)propanamide
CID 162133610
2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide
CID 61220573

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide?
The IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide (CID 81414518) is 3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide.
What is the SMILES notation for 3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide?
The canonical SMILES for 3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide is CC(C)(CO)CNCCC(N)=O.
What is the InChIKey of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide?
The InChIKey is AHXOEKKWRDOTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,6-11)5-10-4-3-7(9)12/h10-11H,3-6H2,1-2H3,(H2,9,12).
What are the key properties of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide?
3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide has a molecular weight of 174.24 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide is sourced from PubChem (CID 81414518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).