1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide

C18H37IN4O2 — CID 111136538

IUPAC1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCC1CCCO1.I
InChIInChI=1S/C18H36N4O2.HI/c1-4-19-18(21-14-17-6-5-9-24-17)20-13-16(12-15(2)3)22-7-10-23-11-8-22;/h15-17H,4-14H2,1-3H3,(H2,19,20,21);1H
InChIKeySVUANWLOTMFSPQ-UHFFFAOYSA-N
MW468.42 g/mol
LogP2.09
Rot. Bonds8

About 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide

1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide (PubChem CID 111136538) has the molecular formula C18H37IN4O2 and a molecular weight of 468.42 g/mol. Its IUPAC name is 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
PubChem CID111136538
Molecular FormulaC18H37IN4O2
Molecular Weight468.42 g/mol
Exact Mass468.20
IUPAC Name1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCC1CCCO1.I
InChIInChI=1S/C18H36N4O2.HI/c1-4-19-18(21-14-17-6-5-9-24-17)20-13-16(12-15(2)3)22-7-10-23-11-8-22;/h15-17H,4-14H2,1-3H3,(H2,19,20,21);1H
InChIKeySVUANWLOTMFSPQ-UHFFFAOYSA-N
XLogP2.09
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 52.09
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111936024
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111936025
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine
CID 111935591
1-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine
CID 111651778
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111935860
1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935458
1-ethyl-3-(3-methylbutan-2-yl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111002772
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188064
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111935385
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-prop-2-ynylguanidine
CID 111848569
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111935040
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]guanidine
CID 111620942

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide (CID 111136538) is 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide is CCN/C(=N\CC(CC(C)C)N1CCOCC1)NCC1CCCO1.I.
What is the InChIKey of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is SVUANWLOTMFSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2.HI/c1-4-19-18(21-14-17-6-5-9-24-17)20-13-16(12-15(2)3)22-7-10-23-11-8-22;/h15-17H,4-14H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 468.42 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111136538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).