4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride

C5H12ClN3O — CID 170914941

IUPAC4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride
SMILESCC1(CN)CNC(=O)N1.Cl
InChIInChI=1S/C5H11N3O.ClH/c1-5(2-6)3-7-4(9)8-5;/h2-3,6H2,1H3,(H2,7,8,9);1H
InChIKeyRSEXSOBKMVTNHY-UHFFFAOYSA-N
MW165.62 g/mol
LogP-0.56
Rot. Bonds1

About 4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride

4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride (PubChem CID 170914941) has the molecular formula C5H12ClN3O and a molecular weight of 165.62 g/mol. Its IUPAC name is 4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride
PubChem CID170914941
Molecular FormulaC5H12ClN3O
Molecular Weight165.62 g/mol
Exact Mass165.07
IUPAC Name4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride
SMILESCC1(CN)CNC(=O)N1.Cl
InChIInChI=1S/C5H11N3O.ClH/c1-5(2-6)3-7-4(9)8-5;/h2-3,6H2,1H3,(H2,7,8,9);1H
InChIKeyRSEXSOBKMVTNHY-UHFFFAOYSA-N
XLogP-0.56
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride?
The IUPAC name of 4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride (CID 170914941) is 4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride is CC1(CN)CNC(=O)N1.Cl.
What is the InChIKey of 4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride?
The InChIKey is RSEXSOBKMVTNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.ClH/c1-5(2-6)3-7-4(9)8-5;/h2-3,6H2,1H3,(H2,7,8,9);1H.
What are the key properties of 4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride?
4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of -0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-methylimidazolidin-2-one;hydrochloride is sourced from PubChem (CID 170914941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).