2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine

C20H29N5O2 — CID 111193018

IUPAC2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccccn1)NCC(c1ccc(C)o1)N1CCOCC1
InChIInChI=1S/C20H29N5O2/c1-16-6-7-19(27-16)18(25-11-13-26-14-12-25)15-24-20(21-2)23-10-8-17-5-3-4-9-22-17/h3-7,9,18H,8,10-15H2,1-2H3,(H2,21,23,24)
InChIKeyCMECYFIBHUCCSC-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.76
Rot. Bonds7

About 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine

2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111193018) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111193018
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccccn1)NCC(c1ccc(C)o1)N1CCOCC1
InChIInChI=1S/C20H29N5O2/c1-16-6-7-19(27-16)18(25-11-13-26-14-12-25)15-24-20(21-2)23-10-8-17-5-3-4-9-22-17/h3-7,9,18H,8,10-15H2,1-2H3,(H2,21,23,24)
InChIKeyCMECYFIBHUCCSC-UHFFFAOYSA-N
XLogP1.76
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.76
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

2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134062
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111193780
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111835831
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111396549
1-(2-ethylbutyl)-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111890832
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110997162
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111381037
2-methyl-1-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111284361
2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935140
N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206684
2-methyl-1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968105

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine (CID 111193018) is 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine is C/N=C(\NCCc1ccccn1)NCC(c1ccc(C)o1)N1CCOCC1.
What is the InChIKey of 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is CMECYFIBHUCCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-16-6-7-19(27-16)18(25-11-13-26-14-12-25)15-24-20(21-2)23-10-8-17-5-3-4-9-22-17/h3-7,9,18H,8,10-15H2,1-2H3,(H2,21,23,24).
What are the key properties of 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine?
2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 371.49 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111193018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).