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

C10H22N4O — CID 19609577

IUPAC1-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NN)CC(C)(C)N1
InChIInChI=1S/C10H22N4O/c1-9(2)5-7(12-8(15)13-11)6-10(3,4)14-9/h7,14H,5-6,11H2,1-4H3,(H2,12,13,15)
InChIKeyTWPCGKFWPGLOOP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.47
Rot. Bonds1

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

1-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 19609577) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID19609577
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name1-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NN)CC(C)(C)N1
InChIInChI=1S/C10H22N4O/c1-9(2)5-7(12-8(15)13-11)6-10(3,4)14-9/h7,14H,5-6,11H2,1-4H3,(H2,12,13,15)
InChIKeyTWPCGKFWPGLOOP-UHFFFAOYSA-N
XLogP0.47
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.47
H-Bond Donors ≤ 54
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-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 19609577) is 1-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)NN)CC(C)(C)N1.
What is the InChIKey of 1-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is TWPCGKFWPGLOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-9(2)5-7(12-8(15)13-11)6-10(3,4)14-9/h7,14H,5-6,11H2,1-4H3,(H2,12,13,15).
What are the key properties of 1-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 214.31 g/mol, XLogP of 0.47, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 19609577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).