2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine

C12H26N4 — CID 13467

IUPAC2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine
SMILESCC1(C)CCCC(C)(C)N1CCN=C(N)N
InChIInChI=1S/C12H26N4/c1-11(2)6-5-7-12(3,4)16(11)9-8-15-10(13)14/h5-9H2,1-4H3,(H4,13,14,15)
InChIKeyJQLQLLNOAWROTF-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.30
Rot. Bonds3

About 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine

2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine (PubChem CID 13467) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine
PubChem CID13467
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine
SMILESCC1(C)CCCC(C)(C)N1CCN=C(N)N
InChIInChI=1S/C12H26N4/c1-11(2)6-5-7-12(3,4)16(11)9-8-15-10(13)14/h5-9H2,1-4H3,(H4,13,14,15)
InChIKeyJQLQLLNOAWROTF-UHFFFAOYSA-N
XLogP1.30
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

BD-38
CID 191110
2-[2-(2-Methylpiperidin-1-yl)ethyl]guanidine
CID 26492
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]guanidine
CID 51714
2-(1,2,2,6,6-Pentamethylpiperidin-4-yl)guanidine
CID 20352106
2-[(1-Piperidin-1-ylcyclohexyl)methyl]guanidine
CID 53530850
Sulfuric acid--N-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine (1/1)
CID 57347149
(1,2,6,6-Tetramethylpiperidin-2-yl)methanamine
CID 90964898
2-[2-(4-Heptylpiperazin-1-yl)ethyl]guanidine
CID 164055538
2-[(3S)-6,6-dimethylpiperidin-3-yl]guanidine
CID 176263094
2-[2-(2,2,6,6-Tetramethylpiperidin-1-yl)ethyl]guanidine sulfate
CID 20975637
2-[(1-Piperidin-1-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 53530849
2-[(1-Methylpiperidin-2-yl)methyl]guanidine
CID 62359176

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine (CID 13467) is 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine is CC1(C)CCCC(C)(C)N1CCN=C(N)N.
What is the InChIKey of 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine?
The InChIKey is JQLQLLNOAWROTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-11(2)6-5-7-12(3,4)16(11)9-8-15-10(13)14/h5-9H2,1-4H3,(H4,13,14,15).
What are the key properties of 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine?
2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine has a molecular weight of 226.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine is sourced from PubChem (CID 13467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).