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

C22H38N4O3 — CID 111651778

IUPAC1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine
SMILESCC(C)CC(C/N=C(\NCCc1ccco1)NCC1CCCO1)N1CCOCC1
InChIInChI=1S/C22H38N4O3/c1-18(2)15-19(26-9-13-27-14-10-26)16-24-22(25-17-21-6-4-12-29-21)23-8-7-20-5-3-11-28-20/h3,5,11,18-19,21H,4,6-10,12-17H2,1-2H3,(H2,23,24,25)
InChIKeyOEEBHQSFSRMTHW-UHFFFAOYSA-N
MW406.57 g/mol
LogP2.28
Rot. Bonds10

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

1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine (PubChem CID 111651778) has the molecular formula C22H38N4O3 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine
PubChem CID111651778
Molecular FormulaC22H38N4O3
Molecular Weight406.57 g/mol
Exact Mass406.29
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine
SMILESCC(C)CC(C/N=C(\NCCc1ccco1)NCC1CCCO1)N1CCOCC1
InChIInChI=1S/C22H38N4O3/c1-18(2)15-19(26-9-13-27-14-10-26)16-24-22(25-17-21-6-4-12-29-21)23-8-7-20-5-3-11-28-20/h3,5,11,18-19,21H,4,6-10,12-17H2,1-2H3,(H2,23,24,25)
InChIKeyOEEBHQSFSRMTHW-UHFFFAOYSA-N
XLogP2.28
TPSA71.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 52.28
H-Bond Donors ≤ 52
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-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111541823
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111353432
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136538
1-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111491355
1-[2-(furan-2-yl)ethyl]-3-(oxan-2-ylmethyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111651671
1-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)-3-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 110050437
1-[2-(furan-2-yl)ethyl]-3-(oxolan-2-ylmethyl)-2-(oxolan-3-ylmethyl)guanidine
CID 111651732
1-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylbutyl)guanidine
CID 110051446
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021801
1-[2-(furan-2-yl)ethyl]-2-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(oxan-2-ylmethyl)guanidine
CID 110051470
1-[2-(furan-2-yl)ethyl]-3-(4-methylpentyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111651691
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine
CID 111935591

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine (CID 111651778) is 1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine is CC(C)CC(C/N=C(\NCCc1ccco1)NCC1CCCO1)N1CCOCC1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine?
The InChIKey is OEEBHQSFSRMTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O3/c1-18(2)15-19(26-9-13-27-14-10-26)16-24-22(25-17-21-6-4-12-29-21)23-8-7-20-5-3-11-28-20/h3,5,11,18-19,21H,4,6-10,12-17H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine?
1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine has a molecular weight of 406.57 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 111651778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).