1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide

C15H24IN3O — CID 111549082

IUPAC1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Oc1ccccc1)NC1CC1.I
InChIInChI=1S/C15H23N3O.HI/c1-3-16-15(18-13-9-10-13)17-11-12(2)19-14-7-5-4-6-8-14;/h4-8,12-13H,3,9-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyWKYARLMPXXLIRS-UHFFFAOYSA-N
MW389.28 g/mol
LogP2.79
Rot. Bonds6

About 1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide

1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide (PubChem CID 111549082) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide
PubChem CID111549082
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Oc1ccccc1)NC1CC1.I
InChIInChI=1S/C15H23N3O.HI/c1-3-16-15(18-13-9-10-13)17-11-12(2)19-14-7-5-4-6-8-14;/h4-8,12-13H,3,9-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyWKYARLMPXXLIRS-UHFFFAOYSA-N
XLogP2.79
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclopentyl-3-ethyl-2-[2-(4-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111787760
2-[2-(3-chlorophenoxy)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111511958
1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide
CID 110989018
1-cyclopropyl-3-ethyl-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111495561
1-cyclopropyl-2-methyl-3-(2-phenoxypropyl)guanidine;hydroiodide
CID 111179317
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111497651
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine;hydroiodide
CID 111990902
1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111503283
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-phenoxypropyl)guanidine;hydroiodide
CID 111788322
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111502868
1-cyclopropyl-3-ethyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 110987715
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111189715

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide (CID 111549082) is 1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)Oc1ccccc1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide?
The InChIKey is WKYARLMPXXLIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.HI/c1-3-16-15(18-13-9-10-13)17-11-12(2)19-14-7-5-4-6-8-14;/h4-8,12-13H,3,9-11H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide?
1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide has a molecular weight of 389.28 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide is sourced from PubChem (CID 111549082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).