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

C11H24N4O — CID 67555565

IUPAC1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
SMILESCN1C(C)(C)CC(N(N)C(N)=O)CC1(C)C
InChIInChI=1S/C11H24N4O/c1-10(2)6-8(15(13)9(12)16)7-11(3,4)14(10)5/h8H,6-7,13H2,1-5H3,(H2,12,16)
InChIKeyJKXPLXGMHIJRMK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.89
Rot. Bonds1

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

1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea (PubChem CID 67555565) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
PubChem CID67555565
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
SMILESCN1C(C)(C)CC(N(N)C(N)=O)CC1(C)C
InChIInChI=1S/C11H24N4O/c1-10(2)6-8(15(13)9(12)16)7-11(3,4)14(10)5/h8H,6-7,13H2,1-5H3,(H2,12,16)
InChIKeyJKXPLXGMHIJRMK-UHFFFAOYSA-N
XLogP0.89
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
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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Related Compounds

1-Amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 19609577
1-Amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
CID 19609583
1-Amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 67555179
1-(1-Acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea
CID 67821542
1-Amino-1-[2-[amino(carbamoyl)amino]-2,6-dimethyloctan-4-yl]urea
CID 174557717
1-Amino-1-[4-[amino(carbamoyl)amino]-2-ethylhexan-2-yl]urea
CID 174839845
1-Amino-1-(1-methylpiperidin-4-yl)urea
CID 176356026

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
The IUPAC name of 1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea (CID 67555565) is 1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
The canonical SMILES for 1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea is CN1C(C)(C)CC(N(N)C(N)=O)CC1(C)C.
What is the InChIKey of 1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
The InChIKey is JKXPLXGMHIJRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-10(2)6-8(15(13)9(12)16)7-11(3,4)14(10)5/h8H,6-7,13H2,1-5H3,(H2,12,16).
What are the key properties of 1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea has a molecular weight of 228.34 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea is sourced from PubChem (CID 67555565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).