1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine

C25H51N7 — CID 122500959

IUPAC1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine
SMILESCCCCN(/C(=N/C)N/C(N)=N/C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H51N7/c1-11-12-13-32(19-16-24(6,7)31-25(8,9)17-19)21(27-10)29-20(26)28-18-14-22(2,3)30-23(4,5)15-18/h18-19,30-31H,11-17H2,1-10H3,(H3,26,27,28,29)
InChIKeyWUKHVTSQTYDPNV-UHFFFAOYSA-N
MW449.73 g/mol
LogP3.60
Rot. Bonds5

About 1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine

1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine (PubChem CID 122500959) has the molecular formula C25H51N7 and a molecular weight of 449.73 g/mol. Its IUPAC name is 1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine
PubChem CID122500959
Molecular FormulaC25H51N7
Molecular Weight449.73 g/mol
Exact Mass449.42
IUPAC Name1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine
SMILESCCCCN(/C(=N/C)N/C(N)=N/C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H51N7/c1-11-12-13-32(19-16-24(6,7)31-25(8,9)17-19)21(27-10)29-20(26)28-18-14-22(2,3)30-23(4,5)15-18/h18-19,30-31H,11-17H2,1-10H3,(H3,26,27,28,29)
InChIKeyWUKHVTSQTYDPNV-UHFFFAOYSA-N
XLogP3.60
TPSA90.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.73
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine?
The IUPAC name of 1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine (CID 122500959) is 1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine.
What is the SMILES notation for 1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine?
The canonical SMILES for 1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine is CCCCN(/C(=N/C)N/C(N)=N/C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine?
The InChIKey is WUKHVTSQTYDPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N7/c1-11-12-13-32(19-16-24(6,7)31-25(8,9)17-19)21(27-10)29-20(26)28-18-14-22(2,3)30-23(4,5)15-18/h18-19,30-31H,11-17H2,1-10H3,(H3,26,27,28,29).
What are the key properties of 1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine?
1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine has a molecular weight of 449.73 g/mol, XLogP of 3.60, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[N'-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl]guanidine is sourced from PubChem (CID 122500959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).