1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine

C20H34N4O2 — CID 136922967

IUPAC1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(=N/CC(C(C)C)N1CCOCC1)NCCc1ccco1
InChIInChI=1S/C20H34N4O2/c1-16(2)14-22-20(21-8-7-18-6-5-11-26-18)23-15-19(17(3)4)24-9-12-25-13-10-24/h5-6,11,17,19H,1,7-10,12-15H2,2-4H3,(H2,21,22,23)
InChIKeySPYXRALEHOHAMG-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.29
Rot. Bonds9

About 1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine

1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine (PubChem CID 136922967) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine
PubChem CID136922967
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(=N/CC(C(C)C)N1CCOCC1)NCCc1ccco1
InChIInChI=1S/C20H34N4O2/c1-16(2)14-22-20(21-8-7-18-6-5-11-26-18)23-15-19(17(3)4)24-9-12-25-13-10-24/h5-6,11,17,19H,1,7-10,12-15H2,2-4H3,(H2,21,22,23)
InChIKeySPYXRALEHOHAMG-UHFFFAOYSA-N
XLogP2.29
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111353544
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111356299
1-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-(2-methylprop-2-enyl)guanidine
CID 136727076
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021801
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111542106
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)guanidine
CID 111542132
2-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136701220
1-[2-(furan-2-yl)ethyl]-3-(2-methylprop-2-enyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111586606
1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine
CID 110051898
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111353432
1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-prop-2-enylguanidine
CID 136924075
2-[(4-fluorophenyl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylprop-2-enyl)guanidine
CID 111231943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine (CID 136922967) is 1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine is C=C(C)CN/C(=N/CC(C(C)C)N1CCOCC1)NCCc1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine?
The InChIKey is SPYXRALEHOHAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-16(2)14-22-20(21-8-7-18-6-5-11-26-18)23-15-19(17(3)4)24-9-12-25-13-10-24/h5-6,11,17,19H,1,7-10,12-15H2,2-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine?
1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine has a molecular weight of 362.52 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 136922967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).