3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea

C12H24N4O — CID 79154440

IUPAC3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea
SMILES[H]/N=C(\N)C1(NC(=O)N(C)C)CCC(CC)CC1
InChIInChI=1S/C12H24N4O/c1-4-9-5-7-12(8-6-9,10(13)14)15-11(17)16(2)3/h9H,4-8H2,1-3H3,(H3,13,14)(H,15,17)
InChIKeyUFGGBLILCWUBJH-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.53
Rot. Bonds3

About 3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea

3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea (PubChem CID 79154440) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea
PubChem CID79154440
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea
SMILES[H]/N=C(\N)C1(NC(=O)N(C)C)CCC(CC)CC1
InChIInChI=1S/C12H24N4O/c1-4-9-5-7-12(8-6-9,10(13)14)15-11(17)16(2)3/h9H,4-8H2,1-3H3,(H3,13,14)(H,15,17)
InChIKeyUFGGBLILCWUBJH-UHFFFAOYSA-N
XLogP1.53
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea 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 3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea?
The IUPAC name of 3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea (CID 79154440) is 3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea?
The canonical SMILES for 3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea is [H]/N=C(\N)C1(NC(=O)N(C)C)CCC(CC)CC1.
What is the InChIKey of 3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea?
The InChIKey is UFGGBLILCWUBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-4-9-5-7-12(8-6-9,10(13)14)15-11(17)16(2)3/h9H,4-8H2,1-3H3,(H3,13,14)(H,15,17).
What are the key properties of 3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea?
3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea has a molecular weight of 240.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-carbamimidoyl-4-ethylcyclohexyl)-1,1-dimethylurea is sourced from PubChem (CID 79154440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).