3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide

C8H14N4O — CID 63564295

IUPAC3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H14N4O/c1-8(2,5-9)6(13)12-7-10-3-4-11-7/h3-4H,5,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyYTTIVQAKMSDEIZ-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.33
Rot. Bonds3

About 3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide

3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide (PubChem CID 63564295) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide
PubChem CID63564295
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H14N4O/c1-8(2,5-9)6(13)12-7-10-3-4-11-7/h3-4H,5,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyYTTIVQAKMSDEIZ-UHFFFAOYSA-N
XLogP0.33
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide
CID 130600861
2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide
CID 79811342
3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
CID 63564488
2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide
CID 55219236
(Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide
CID 131311129
1-amino-3-(1H-imidazol-2-yl)urea
CID 154210460
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
CID 63562983
3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide
CID 131084397
2-methylpropyl N-(1H-imidazol-2-yl)carbamate
CID 63565035
N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 55212567
1-(1H-imidazol-2-yl)-3-propan-2-ylurea
CID 63564076
N-(1H-imidazol-2-yl)-2-propylpentanamide
CID 115556416

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide (CID 63564295) is 3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide is CC(C)(CN)C(=O)Nc1ncc[nH]1.
What is the InChIKey of 3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide?
The InChIKey is YTTIVQAKMSDEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,5-9)6(13)12-7-10-3-4-11-7/h3-4H,5,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide?
3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide has a molecular weight of 182.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 63564295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).