2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide

C18H37IN4O2 — CID 111138986

IUPAC2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CC(C)OC(C)C1)NCC1CCCO1.I
InChIInChI=1S/C18H36N4O2.HI/c1-6-19-17(20-10-16-8-7-9-23-16)21-13-18(4,5)22-11-14(2)24-15(3)12-22;/h14-16H,6-13H2,1-5H3,(H2,19,20,21);1H
InChIKeyLJUDUORIONATFQ-UHFFFAOYSA-N
MW468.42 g/mol
LogP2.23
Rot. Bonds6

About 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide

2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide (PubChem CID 111138986) has the molecular formula C18H37IN4O2 and a molecular weight of 468.42 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
PubChem CID111138986
Molecular FormulaC18H37IN4O2
Molecular Weight468.42 g/mol
Exact Mass468.20
IUPAC Name2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CC(C)OC(C)C1)NCC1CCCO1.I
InChIInChI=1S/C18H36N4O2.HI/c1-6-19-17(20-10-16-8-7-9-23-16)21-13-18(4,5)22-11-14(2)24-15(3)12-22;/h14-16H,6-13H2,1-5H3,(H2,19,20,21);1H
InChIKeyLJUDUORIONATFQ-UHFFFAOYSA-N
XLogP2.23
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 52.23
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-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139868
1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine
CID 110992479
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111180154
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111895638
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)guanidine
CID 111606489
3-[[ethylamino-(oxolan-2-ylmethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111136768
1-[2-(2-butoxyethoxy)ethyl]-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine
CID 111693892
1-ethyl-2-[2-(methanesulfonamido)-2-methylpropyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111780806
2-(cyclopropylmethyl)-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137493
1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111408181
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine;hydroiodide
CID 111663834
2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111660896

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide (CID 111138986) is 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide is CCN/C(=N\CC(C)(C)N1CC(C)OC(C)C1)NCC1CCCO1.I.
What is the InChIKey of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is LJUDUORIONATFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2.HI/c1-6-19-17(20-10-16-8-7-9-23-16)21-13-18(4,5)22-11-14(2)24-15(3)12-22;/h14-16H,6-13H2,1-5H3,(H2,19,20,21);1H.
What are the key properties of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 468.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111138986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).