1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide

C19H39IN4O2 — CID 111757003

IUPAC1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NC1CC(C)(OC)C1(C)C.I
InChIInChI=1S/C19H38N4O2.HI/c1-8-20-16(22-15-13-19(6,24-7)18(15,4)5)21-14-17(2,3)23-9-11-25-12-10-23;/h15H,8-14H2,1-7H3,(H2,20,21,22);1H
InChIKeyKQXOBGOIWTZVCV-UHFFFAOYSA-N
MW482.45 g/mol
LogP2.47
Rot. Bonds6

About 1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide

1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111757003) has the molecular formula C19H39IN4O2 and a molecular weight of 482.45 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111757003
Molecular FormulaC19H39IN4O2
Molecular Weight482.45 g/mol
Exact Mass482.21
IUPAC Name1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NC1CC(C)(OC)C1(C)C.I
InChIInChI=1S/C19H38N4O2.HI/c1-8-20-16(22-15-13-19(6,24-7)18(15,4)5)21-14-17(2,3)23-9-11-25-12-10-23;/h15H,8-14H2,1-7H3,(H2,20,21,22);1H
InChIKeyKQXOBGOIWTZVCV-UHFFFAOYSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 52.47
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-cyclobutyl-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 119146336
tert-butyl 3-[[N-ethyl-N'-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109467345
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139868
1-(2-butoxyethyl)-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315969
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
CID 109402304
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111314269
1-(3-cyclohexyloxypropyl)-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315617
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111314856
1-[7-(dimethylamino)heptyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315759
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315275
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine;hydroiodide
CID 111315695
1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111692462

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111757003) is 1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)(C)N1CCOCC1)NC1CC(C)(OC)C1(C)C.I.
What is the InChIKey of 1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is KQXOBGOIWTZVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2.HI/c1-8-20-16(22-15-13-19(6,24-7)18(15,4)5)21-14-17(2,3)23-9-11-25-12-10-23;/h15H,8-14H2,1-7H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 482.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111757003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).