(1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide

C11H21N3 — CID 88809463

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide
SMILESCN1C(C)(C)CC(NC#N)CC1(C)C
InChIInChI=1S/C11H21N3/c1-10(2)6-9(13-8-12)7-11(3,4)14(10)5/h9,13H,6-7H2,1-5H3
InChIKeyRGYNVJCVUQGLAM-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.71
Rot. Bonds1

About (1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide

(1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide (PubChem CID 88809463) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide
PubChem CID88809463
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide
SMILESCN1C(C)(C)CC(NC#N)CC1(C)C
InChIInChI=1S/C11H21N3/c1-10(2)6-9(13-8-12)7-11(3,4)14(10)5/h9,13H,6-7H2,1-5H3
InChIKeyRGYNVJCVUQGLAM-UHFFFAOYSA-N
XLogP1.71
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide (CID 88809463) is (1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide is CN1C(C)(C)CC(NC#N)CC1(C)C.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide?
The InChIKey is RGYNVJCVUQGLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)6-9(13-8-12)7-11(3,4)14(10)5/h9,13H,6-7H2,1-5H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide?
(1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide has a molecular weight of 195.31 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide is sourced from PubChem (CID 88809463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).