1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine

C18H32N4OS — CID 111966077

IUPAC1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
SMILESCCCCN/C(=N/CC(c1ccc(C)s1)N1CCOCC1)NCC
InChIInChI=1S/C18H32N4OS/c1-4-6-9-20-18(19-5-2)21-14-16(17-8-7-15(3)24-17)22-10-12-23-13-11-22/h7-8,16H,4-6,9-14H2,1-3H3,(H2,19,20,21)
InChIKeyNZCNGZJYNLLGTN-UHFFFAOYSA-N
MW352.55 g/mol
LogP2.79
Rot. Bonds8

About 1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine

1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine (PubChem CID 111966077) has the molecular formula C18H32N4OS and a molecular weight of 352.55 g/mol. Its IUPAC name is 1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine.

Molecular Properties

Compound Name1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
PubChem CID111966077
Molecular FormulaC18H32N4OS
Molecular Weight352.55 g/mol
Exact Mass352.23
IUPAC Name1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
SMILESCCCCN/C(=N/CC(c1ccc(C)s1)N1CCOCC1)NCC
InChIInChI=1S/C18H32N4OS/c1-4-6-9-20-18(19-5-2)21-14-16(17-8-7-15(3)24-17)22-10-12-23-13-11-22/h7-8,16H,4-6,9-14H2,1-3H3,(H2,19,20,21)
InChIKeyNZCNGZJYNLLGTN-UHFFFAOYSA-N
XLogP2.79
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111966480
1-cyclohexyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111965913
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111966324
1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine
CID 110051898
1-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111966056
2-methyl-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-pentylguanidine
CID 111966041
2-[[butylamino-[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111966397
2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-1-propylguanidine;hydroiodide
CID 111721916
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111966065
1-ethyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111997076
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111966292
1-(4-ethoxybutyl)-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283697

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine?
The IUPAC name of 1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine (CID 111966077) is 1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine.
What is the SMILES notation for 1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine?
The canonical SMILES for 1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine is CCCCN/C(=N/CC(c1ccc(C)s1)N1CCOCC1)NCC.
What is the InChIKey of 1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine?
The InChIKey is NZCNGZJYNLLGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4OS/c1-4-6-9-20-18(19-5-2)21-14-16(17-8-7-15(3)24-17)22-10-12-23-13-11-22/h7-8,16H,4-6,9-14H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine?
1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine has a molecular weight of 352.55 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine is sourced from PubChem (CID 111966077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).