1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide

C17H28IN3O — CID 111829214

IUPAC1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CC1c1ccccc1)NC(C)COC.I
InChIInChI=1S/C17H27N3O.HI/c1-4-18-17(20-13(2)12-21-3)19-11-15-10-16(15)14-8-6-5-7-9-14;/h5-9,13,15-16H,4,10-12H2,1-3H3,(H2,18,19,20);1H
InChIKeyUIEMUMILNGJCLJ-UHFFFAOYSA-N
MW417.34 g/mol
LogP3.00
Rot. Bonds7

About 1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide

1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide (PubChem CID 111829214) has the molecular formula C17H28IN3O and a molecular weight of 417.34 g/mol. Its IUPAC name is 1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
PubChem CID111829214
Molecular FormulaC17H28IN3O
Molecular Weight417.34 g/mol
Exact Mass417.13
IUPAC Name1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CC1c1ccccc1)NC(C)COC.I
InChIInChI=1S/C17H27N3O.HI/c1-4-18-17(20-13(2)12-21-3)19-11-15-10-16(15)14-8-6-5-7-9-14;/h5-9,13,15-16H,4,10-12H2,1-3H3,(H2,18,19,20);1H
InChIKeyUIEMUMILNGJCLJ-UHFFFAOYSA-N
XLogP3.00
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 53.00
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-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111810564
2-benzyl-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236133
1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine
CID 111236665
2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111773928
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111836729
1-ethyl-3-(1-methoxypropan-2-yl)-2-(3-phenylpropyl)guanidine
CID 111237435
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111235808
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236169
2-(3-anilinopropyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236951
1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111234572
1-ethyl-3-(1-methoxypropan-2-yl)-2-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111237922
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111558522

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide (CID 111829214) is 1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide is CCN/C(=N\CC1CC1c1ccccc1)NC(C)COC.I.
What is the InChIKey of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The InChIKey is UIEMUMILNGJCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.HI/c1-4-18-17(20-13(2)12-21-3)19-11-15-10-16(15)14-8-6-5-7-9-14;/h5-9,13,15-16H,4,10-12H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide?
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide has a molecular weight of 417.34 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111829214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).