1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine

C16H34N4 — CID 143264327

IUPAC1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine
SMILESCCCCN(/C(N)=N/C)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C16H34N4/c1-8-9-10-20(14(17)18-6)13-11-15(2,3)19(7)16(4,5)12-13/h13H,8-12H2,1-7H3,(H2,17,18)
InChIKeyAQLOIOSJVIVBIF-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.68
Rot. Bonds4

About 1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine

1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine (PubChem CID 143264327) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine
PubChem CID143264327
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine
SMILESCCCCN(/C(N)=N/C)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C16H34N4/c1-8-9-10-20(14(17)18-6)13-11-15(2,3)19(7)16(4,5)12-13/h13H,8-12H2,1-7H3,(H2,17,18)
InChIKeyAQLOIOSJVIVBIF-UHFFFAOYSA-N
XLogP2.68
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine?
The IUPAC name of 1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine (CID 143264327) is 1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine is CCCCN(/C(N)=N/C)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine?
The InChIKey is AQLOIOSJVIVBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-8-9-10-20(14(17)18-6)13-11-15(2,3)19(7)16(4,5)12-13/h13H,8-12H2,1-7H3,(H2,17,18).
What are the key properties of 1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine?
1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine has a molecular weight of 282.48 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine is sourced from PubChem (CID 143264327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).