1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide

C18H24IN3O — CID 110988455

IUPAC1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCOc1cccc2ccccc12)NC1CC1.I
InChIInChI=1S/C18H23N3O.HI/c1-2-19-18(21-15-10-11-15)20-12-13-22-17-9-5-7-14-6-3-4-8-16(14)17;/h3-9,15H,2,10-13H2,1H3,(H2,19,20,21);1H
InChIKeyZCFHNXMSKATETC-UHFFFAOYSA-N
MW425.31 g/mol
LogP3.55
Rot. Bonds6

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

1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide (PubChem CID 110988455) has the molecular formula C18H24IN3O and a molecular weight of 425.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
PubChem CID110988455
Molecular FormulaC18H24IN3O
Molecular Weight425.31 g/mol
Exact Mass425.10
IUPAC Name1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCOc1cccc2ccccc12)NC1CC1.I
InChIInChI=1S/C18H23N3O.HI/c1-2-19-18(21-15-10-11-15)20-12-13-22-17-9-5-7-14-6-3-4-8-16(14)17;/h3-9,15H,2,10-13H2,1H3,(H2,19,20,21);1H
InChIKeyZCFHNXMSKATETC-UHFFFAOYSA-N
XLogP3.55
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110992728
1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-ylethyl)guanidine;hydroiodide
CID 110988159
1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine
CID 111548975
1-cyclopropyl-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 110934292
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
CID 111979179
N-[2-[[ethylamino-(2-naphthalen-1-yloxyethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927003
2-[2-(2,6-dimethylphenoxy)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190342
1-ethyl-2-[2-(2-methylphenoxy)ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019928
2-[2-(2,4-difluorophenoxy)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979027
1-ethyl-3-(2-naphthalen-1-yloxyethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472372
1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109400878
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide
CID 111190307

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide (CID 110988455) is 1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide is CCN/C(=N\CCOc1cccc2ccccc12)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide?
The InChIKey is ZCFHNXMSKATETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.HI/c1-2-19-18(21-15-10-11-15)20-12-13-22-17-9-5-7-14-6-3-4-8-16(14)17;/h3-9,15H,2,10-13H2,1H3,(H2,19,20,21);1H.
What are the key properties of 1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide?
1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide has a molecular weight of 425.31 g/mol, XLogP of 3.55, 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-naphthalen-1-yloxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 110988455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).