4-(aminomethyl)-4,5-dimethylimidazolidin-2-one

C6H13N3O — CID 163622991

IUPAC4-(aminomethyl)-4,5-dimethylimidazolidin-2-one
SMILESCC1NC(=O)NC1(C)CN
InChIInChI=1S/C6H13N3O/c1-4-6(2,3-7)9-5(10)8-4/h4H,3,7H2,1-2H3,(H2,8,9,10)
InChIKeyHPTJBYKLLWCUDA-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.59
Rot. Bonds1

About 4-(aminomethyl)-4,5-dimethylimidazolidin-2-one

4-(aminomethyl)-4,5-dimethylimidazolidin-2-one (PubChem CID 163622991) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-(aminomethyl)-4,5-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-4,5-dimethylimidazolidin-2-one
PubChem CID163622991
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name4-(aminomethyl)-4,5-dimethylimidazolidin-2-one
SMILESCC1NC(=O)NC1(C)CN
InChIInChI=1S/C6H13N3O/c1-4-6(2,3-7)9-5(10)8-4/h4H,3,7H2,1-2H3,(H2,8,9,10)
InChIKeyHPTJBYKLLWCUDA-UHFFFAOYSA-N
XLogP-0.59
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-3,3,4-trimethylazetidin-2-one
CID 59064361
1,3,3a,4,6,6a-hexahydro(213C)imidazolo[4,5-d](213C)imidazole-2,5-dione
CID 23626358
6-amino-7-methyl-2,4-diazabicyclo[3.1.1]heptan-3-one
CID 89029119
5-(aminomethyl)-5-methylpyrrolidin-2-one
CID 55290596
1-methyl-2,4-diazabicyclo[3.2.0]hept-6-en-3-one
CID 10725341
(4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one
CID 134483812
ethyl 4-hydroxy-4-methyl-2-oxo-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate
CID 132839213
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
ethyl 4-hydroxy-6-methyl-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
CID 132839215
4-ethyl-5-methylimidazolidin-2-one
CID 22042260
(6S,12S,18S,24S)-3,3,6,9,9,12,15,15,18,21,21,24-dodecamethyl-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 177434045
5-(2-aminoethyl)-1,3-diazinane-2,4,6-trione
CID 82647071

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4,5-dimethylimidazolidin-2-one?
The IUPAC name of 4-(aminomethyl)-4,5-dimethylimidazolidin-2-one (CID 163622991) is 4-(aminomethyl)-4,5-dimethylimidazolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-4,5-dimethylimidazolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-4,5-dimethylimidazolidin-2-one is CC1NC(=O)NC1(C)CN.
What is the InChIKey of 4-(aminomethyl)-4,5-dimethylimidazolidin-2-one?
The InChIKey is HPTJBYKLLWCUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-4-6(2,3-7)9-5(10)8-4/h4H,3,7H2,1-2H3,(H2,8,9,10).
What are the key properties of 4-(aminomethyl)-4,5-dimethylimidazolidin-2-one?
4-(aminomethyl)-4,5-dimethylimidazolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4,5-dimethylimidazolidin-2-one is sourced from PubChem (CID 163622991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).