1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one

C12H24N4O2 — CID 123878361

IUPAC1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one
SMILESCN(N)CC1CCC(N2CC(=O)N(CO)C2)CC1
InChIInChI=1S/C12H24N4O2/c1-14(13)6-10-2-4-11(5-3-10)15-7-12(18)16(8-15)9-17/h10-11,17H,2-9,13H2,1H3
InChIKeyNPPXXMNXYLTRMP-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.60
Rot. Bonds4

About 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one

1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one (PubChem CID 123878361) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one
PubChem CID123878361
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one
SMILESCN(N)CC1CCC(N2CC(=O)N(CO)C2)CC1
InChIInChI=1S/C12H24N4O2/c1-14(13)6-10-2-4-11(5-3-10)15-7-12(18)16(8-15)9-17/h10-11,17H,2-9,13H2,1H3
InChIKeyNPPXXMNXYLTRMP-UHFFFAOYSA-N
XLogP-0.60
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one?
The IUPAC name of 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one (CID 123878361) is 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one.
What is the SMILES notation for 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one?
The canonical SMILES for 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one is CN(N)CC1CCC(N2CC(=O)N(CO)C2)CC1.
What is the InChIKey of 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one?
The InChIKey is NPPXXMNXYLTRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-14(13)6-10-2-4-11(5-3-10)15-7-12(18)16(8-15)9-17/h10-11,17H,2-9,13H2,1H3.
What are the key properties of 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one?
1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one has a molecular weight of 256.35 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]-3-(hydroxymethyl)imidazolidin-4-one is sourced from PubChem (CID 123878361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).