1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine

C18H36N4O — CID 110959191

IUPAC1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
SMILESCCN/C(=N\CC(C(C)C)N1CCOCC1)NC1CCCCC1
InChIInChI=1S/C18H36N4O/c1-4-19-18(21-16-8-6-5-7-9-16)20-14-17(15(2)3)22-10-12-23-13-11-22/h15-17H,4-14H2,1-3H3,(H2,19,20,21)
InChIKeyBSWSOMOGETUTNJ-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.23
Rot. Bonds6

About 1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine

1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine (PubChem CID 110959191) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
PubChem CID110959191
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
SMILESCCN/C(=N\CC(C(C)C)N1CCOCC1)NC1CCCCC1
InChIInChI=1S/C18H36N4O/c1-4-19-18(21-16-8-6-5-7-9-16)20-14-17(15(2)3)22-10-12-23-13-11-22/h15-17H,4-14H2,1-3H3,(H2,19,20,21)
InChIKeyBSWSOMOGETUTNJ-UHFFFAOYSA-N
XLogP2.23
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)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

1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111140776
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915171
1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317119
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110987978
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318755
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111909800
1-(2-cyclopropylethyl)-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111604738
N-cyclopropyl-4-[[N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]butanamide;hydroiodide
CID 111930647
1-cyclohexyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110959034
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111417114
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188264
1-cyclohexyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111965913

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine?
The IUPAC name of 1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine (CID 110959191) is 1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine?
The canonical SMILES for 1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine is CCN/C(=N\CC(C(C)C)N1CCOCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine?
The InChIKey is BSWSOMOGETUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-4-19-18(21-16-8-6-5-7-9-16)20-14-17(15(2)3)22-10-12-23-13-11-22/h15-17H,4-14H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine?
1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine has a molecular weight of 324.51 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine is sourced from PubChem (CID 110959191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).