2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile

C11H21N3 — CID 14373907

IUPAC2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile
SMILESCC1(C)CCCC(C)(C)N1NCC#N
InChIInChI=1S/C11H21N3/c1-10(2)6-5-7-11(3,4)14(10)13-9-8-12/h13H,5-7,9H2,1-4H3
InChIKeyJHBUMBKHUFFXPR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.06
Rot. Bonds2

About 2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile

2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile (PubChem CID 14373907) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile
PubChem CID14373907
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile
SMILESCC1(C)CCCC(C)(C)N1NCC#N
InChIInChI=1S/C11H21N3/c1-10(2)6-5-7-11(3,4)14(10)13-9-8-12/h13H,5-7,9H2,1-4H3
InChIKeyJHBUMBKHUFFXPR-UHFFFAOYSA-N
XLogP2.06
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile?
The IUPAC name of 2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile (CID 14373907) is 2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile.
What is the SMILES notation for 2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile?
The canonical SMILES for 2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile is CC1(C)CCCC(C)(C)N1NCC#N.
What is the InChIKey of 2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile?
The InChIKey is JHBUMBKHUFFXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)6-5-7-11(3,4)14(10)13-9-8-12/h13H,5-7,9H2,1-4H3.
What are the key properties of 2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile?
2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile has a molecular weight of 195.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,6,6-tetramethylpiperidin-1-yl)amino]acetonitrile is sourced from PubChem (CID 14373907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).