1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine

C18H30N4O — CID 111189374

IUPAC1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine
SMILESCCN/C(=N\CCN(C)c1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C18H30N4O/c1-3-19-18(21-15-9-11-17(23)12-10-15)20-13-14-22(2)16-7-5-4-6-8-16/h4-8,15,17,23H,3,9-14H2,1-2H3,(H2,19,20,21)
InChIKeyKGROFKCSTQETON-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.98
Rot. Bonds6

About 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine

1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine (PubChem CID 111189374) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine
PubChem CID111189374
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine
SMILESCCN/C(=N\CCN(C)c1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C18H30N4O/c1-3-19-18(21-15-9-11-17(23)12-10-15)20-13-14-22(2)16-7-5-4-6-8-16/h4-8,15,17,23H,3,9-14H2,1-2H3,(H2,19,20,21)
InChIKeyKGROFKCSTQETON-UHFFFAOYSA-N
XLogP1.98
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine
CID 110992389
2-[3-[benzyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190428
2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190104
2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190741
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979264
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111978883
1-ethyl-2-[3-(N-methylanilino)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111953398
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979312
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111190623
1,3-diethyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110924966
1-ethyl-2-[4-(N-methylanilino)butyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111961606
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111189715

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine?
The IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine (CID 111189374) is 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine?
The canonical SMILES for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine is CCN/C(=N\CCN(C)c1ccccc1)NC1CCC(O)CC1.
What is the InChIKey of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine?
The InChIKey is KGROFKCSTQETON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-3-19-18(21-15-9-11-17(23)12-10-15)20-13-14-22(2)16-7-5-4-6-8-16/h4-8,15,17,23H,3,9-14H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine?
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine has a molecular weight of 318.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine is sourced from PubChem (CID 111189374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).