2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine

C29H57N3 — CID 19826647

IUPAC2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine
SMILESCCCCC(CC)CN(CC(CC)CCCC)/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C29H57N3/c1-5-9-17-25(7-3)23-32(24-26(8-4)18-10-6-2)29(30-27-19-13-11-14-20-27)31-28-21-15-12-16-22-28/h25-28H,5-24H2,1-4H3,(H,30,31)
InChIKeyARUMAPUIMXEAOB-UHFFFAOYSA-N
MW447.80 g/mol
LogP8.33
Rot. Bonds14

About 2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine

2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine (PubChem CID 19826647) has the molecular formula C29H57N3 and a molecular weight of 447.80 g/mol. Its IUPAC name is 2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine.

Molecular Properties

Compound Name2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine
PubChem CID19826647
Molecular FormulaC29H57N3
Molecular Weight447.80 g/mol
Exact Mass447.46
IUPAC Name2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine
SMILESCCCCC(CC)CN(CC(CC)CCCC)/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C29H57N3/c1-5-9-17-25(7-3)23-32(24-26(8-4)18-10-6-2)29(30-27-19-13-11-14-20-27)31-28-21-15-12-16-22-28/h25-28H,5-24H2,1-4H3,(H,30,31)
InChIKeyARUMAPUIMXEAOB-UHFFFAOYSA-N
XLogP8.33
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.80
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-Butyl-2,3-dicyclohexyl-1-methylguanidine
CID 58238472
1,3-Dicyclohexyl-2-octylguanidine
CID 14771736
2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine
CID 15353749
1,3-Dicyclohexyl-2-tridecylguanidine
CID 54202510
2-Cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide
CID 67945426
1-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]guanidine
CID 139259814
2-Methyl-1-(4-methylcyclohexyl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968689
1-[1-(Cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 111993711
1-[3-[Di(propan-2-yl)amino]propyl]-2-methyl-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 112075994
1-[3-[Di(propan-2-yl)amino]propyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine
CID 112076120
1-[2-(1-Ethylpiperidin-4-yl)ethyl]-2-methyl-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 112116441
1-Ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 112116455

Frequently Asked Questions

What is the IUPAC name of 2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine?
The IUPAC name of 2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine (CID 19826647) is 2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine.
What is the SMILES notation for 2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine?
The canonical SMILES for 2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine is CCCCC(CC)CN(CC(CC)CCCC)/C(=N\C1CCCCC1)NC1CCCCC1.
What is the InChIKey of 2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine?
The InChIKey is ARUMAPUIMXEAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H57N3/c1-5-9-17-25(7-3)23-32(24-26(8-4)18-10-6-2)29(30-27-19-13-11-14-20-27)31-28-21-15-12-16-22-28/h25-28H,5-24H2,1-4H3,(H,30,31).
What are the key properties of 2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine?
2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine has a molecular weight of 447.80 g/mol, XLogP of 8.33, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyclohexyl-1,1-bis(2-ethylhexyl)guanidine is sourced from PubChem (CID 19826647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).