1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea

C11H24N4O — CID 79160800

IUPAC1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea
SMILES[H]/N=C(\N)C(C)CN(CC)C(=O)N(CC)CC
InChIInChI=1S/C11H24N4O/c1-5-14(6-2)11(16)15(7-3)8-9(4)10(12)13/h9H,5-8H2,1-4H3,(H3,12,13)
InChIKeyLKRIGBWMUQCNMC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.34
Rot. Bonds6

About 1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea

1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea (PubChem CID 79160800) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea.

Molecular Properties

Compound Name1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea
PubChem CID79160800
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea
SMILES[H]/N=C(\N)C(C)CN(CC)C(=O)N(CC)CC
InChIInChI=1S/C11H24N4O/c1-5-14(6-2)11(16)15(7-3)8-9(4)10(12)13/h9H,5-8H2,1-4H3,(H3,12,13)
InChIKeyLKRIGBWMUQCNMC-UHFFFAOYSA-N
XLogP1.34
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea 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-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea?
The IUPAC name of 1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea (CID 79160800) is 1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea.
What is the SMILES notation for 1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea?
The canonical SMILES for 1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea is [H]/N=C(\N)C(C)CN(CC)C(=O)N(CC)CC.
What is the InChIKey of 1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea?
The InChIKey is LKRIGBWMUQCNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-5-14(6-2)11(16)15(7-3)8-9(4)10(12)13/h9H,5-8H2,1-4H3,(H3,12,13).
What are the key properties of 1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea?
1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea has a molecular weight of 228.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea is sourced from PubChem (CID 79160800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).