1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine

C29H65N3O3Si4 — CID 58159276

IUPAC1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine
SMILESCCCCN(CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C29H65N3O3Si4/c1-11-12-24-32(29(30-27-20-15-13-16-21-27)31-28-22-17-14-18-23-28)25-19-26-39(33-36(2,3)4,34-37(5,6)7)35-38(8,9)10/h27-28H,11-26H2,1-10H3,(H,30,31)
InChIKeyFXBRMTBPISPTHE-UHFFFAOYSA-N
MW616.20 g/mol
LogP8.58
Rot. Bonds15

About 1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine

1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine (PubChem CID 58159276) has the molecular formula C29H65N3O3Si4 and a molecular weight of 616.20 g/mol. Its IUPAC name is 1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine.

Molecular Properties

Compound Name1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine
PubChem CID58159276
Molecular FormulaC29H65N3O3Si4
Molecular Weight616.20 g/mol
Exact Mass615.41
IUPAC Name1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine
SMILESCCCCN(CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C29H65N3O3Si4/c1-11-12-24-32(29(30-27-20-15-13-16-21-27)31-28-22-17-14-18-23-28)25-19-26-39(33-36(2,3)4,34-37(5,6)7)35-38(8,9)10/h27-28H,11-26H2,1-10H3,(H,30,31)
InChIKeyFXBRMTBPISPTHE-UHFFFAOYSA-N
XLogP8.58
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.20
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine with MolForge

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

Launch Full Analysis

Related Compounds

2,3-dicyclohexyl-1,1-bis(trimethylsilyl)guanidine
CID 15398506
(E)-1-N'-butyl-1-N,2-dicyclohexyl-1-N'-methylethene-1,1-diamine;N,N'-dicyclohexylmethanediimine;N-methyl-3-trimethoxysilylpropan-1-amine
CID 161494061
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 89442983
3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
CID 102999147
(N,N'-dicyclohexylcarbamimidoyl) (E)-octadec-9-enoate
CID 10929055
bis(cyclohexylamino)methylidene-[cyclohexyl-(N-cyclohexyl-N'-ethylcarbamimidoyl)amino]-(3-triethoxysilylpropyl)azanium
CID 66921341
1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine
CID 111779651
3-[acetyl(butyl)amino]-N-cyclopentylpropanamide
CID 113115718
dodecyl-tris(trimethylsilyloxy)silane
CID 23033816
1-butyl-3-cyclopentyl-1-methylthiourea
CID 116507159
2,3-dicyclohexyl-1-methyl-1-(4-methylphenyl)guanidine
CID 101415445

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine?
The IUPAC name of 1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine (CID 58159276) is 1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine.
What is the SMILES notation for 1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine?
The canonical SMILES for 1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine is CCCCN(CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)/C(=N\C1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine?
The InChIKey is FXBRMTBPISPTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H65N3O3Si4/c1-11-12-24-32(29(30-27-20-15-13-16-21-27)31-28-22-17-14-18-23-28)25-19-26-39(33-36(2,3)4,34-37(5,6)7)35-38(8,9)10/h27-28H,11-26H2,1-10H3,(H,30,31).
What are the key properties of 1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine?
1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine has a molecular weight of 616.20 g/mol, XLogP of 8.58, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3-dicyclohexyl-1-[3-tris(trimethylsilyloxy)silylpropyl]guanidine is sourced from PubChem (CID 58159276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).