1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea

C11H24N4O — CID 19609583

IUPAC1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
SMILESCN1C(C)(C)CC(NC(=O)NN)CC1(C)C
InChIInChI=1S/C11H24N4O/c1-10(2)6-8(13-9(16)14-12)7-11(3,4)15(10)5/h8H,6-7,12H2,1-5H3,(H2,13,14,16)
InChIKeyYNUUEQXHEQJHKY-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.81
Rot. Bonds1

About 1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea

1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea (PubChem CID 19609583) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
PubChem CID19609583
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
SMILESCN1C(C)(C)CC(NC(=O)NN)CC1(C)C
InChIInChI=1S/C11H24N4O/c1-10(2)6-8(13-9(16)14-12)7-11(3,4)15(10)5/h8H,6-7,12H2,1-5H3,(H2,13,14,16)
InChIKeyYNUUEQXHEQJHKY-UHFFFAOYSA-N
XLogP0.81
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
The IUPAC name of 1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea (CID 19609583) is 1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
The canonical SMILES for 1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea is CN1C(C)(C)CC(NC(=O)NN)CC1(C)C.
What is the InChIKey of 1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
The InChIKey is YNUUEQXHEQJHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-10(2)6-8(13-9(16)14-12)7-11(3,4)15(10)5/h8H,6-7,12H2,1-5H3,(H2,13,14,16).
What are the key properties of 1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea has a molecular weight of 228.34 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea is sourced from PubChem (CID 19609583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).