1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine

C20H36N4O3 — CID 111672110

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C20H36N4O3/c1-5-21-19(23-15-20(4,25)18-7-6-10-27-18)22-14-17(13-16(2)3)24-8-11-26-12-9-24/h6-7,10,16-17,25H,5,8-9,11-15H2,1-4H3,(H2,21,22,23)
InChIKeyIBNAJPWDXYPZFE-UHFFFAOYSA-N
MW380.53 g/mol
LogP1.79
Rot. Bonds9

About 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine (PubChem CID 111672110) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
PubChem CID111672110
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C20H36N4O3/c1-5-21-19(23-15-20(4,25)18-7-6-10-27-18)22-14-17(13-16(2)3)24-8-11-26-12-9-24/h6-7,10,16-17,25H,5,8-9,11-15H2,1-4H3,(H2,21,22,23)
InChIKeyIBNAJPWDXYPZFE-UHFFFAOYSA-N
XLogP1.79
TPSA82.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672331
1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111515196
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111514273
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111515101
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111607023
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111672986
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111671609
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935307
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 109416878
1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022093
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(3-methyl-2-phenylbutyl)guanidine
CID 111672750
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111671531

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine (CID 111672110) is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine is CCN/C(=N\CC(C)(O)c1ccco1)NCC(CC(C)C)N1CCOCC1.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The InChIKey is IBNAJPWDXYPZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-5-21-19(23-15-20(4,25)18-7-6-10-27-18)22-14-17(13-16(2)3)24-8-11-26-12-9-24/h6-7,10,16-17,25H,5,8-9,11-15H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine has a molecular weight of 380.53 g/mol, XLogP of 1.79, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine is sourced from PubChem (CID 111672110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).