1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide

C17H22IN3O — CID 110030405

IUPAC1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
SMILESCN(/C(N)=N/CCOc1cccc2ccccc12)C1CC1.I
InChIInChI=1S/C17H21N3O.HI/c1-20(14-9-10-14)17(18)19-11-12-21-16-8-4-6-13-5-2-3-7-15(13)16;/h2-8,14H,9-12H2,1H3,(H2,18,19);1H
InChIKeyPNELGKUKYYEIQQ-UHFFFAOYSA-N
MW411.29 g/mol
LogP3.25
Rot. Bonds5

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

1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide (PubChem CID 110030405) has the molecular formula C17H22IN3O and a molecular weight of 411.29 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
PubChem CID110030405
Molecular FormulaC17H22IN3O
Molecular Weight411.29 g/mol
Exact Mass411.08
IUPAC Name1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
SMILESCN(/C(N)=N/CCOc1cccc2ccccc12)C1CC1.I
InChIInChI=1S/C17H21N3O.HI/c1-20(14-9-10-14)17(18)19-11-12-21-16-8-4-6-13-5-2-3-7-15(13)16;/h2-8,14H,9-12H2,1H3,(H2,18,19);1H
InChIKeyPNELGKUKYYEIQQ-UHFFFAOYSA-N
XLogP3.25
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
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

2-[2-(2-tert-butylphenoxy)ethyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110031172
1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine
CID 110030115
1-cyclopropyl-1-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]guanidine;hydroiodide
CID 110031641
1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 110988455
2-(3-naphthalen-1-yloxypropyl)guanidine
CID 95456191
1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide
CID 110031647
1-cyclopropyl-1-methyl-2-[4-(4-methylphenoxy)butyl]guanidine;hydroiodide
CID 110030120
1-cyclopropyl-1-methyl-2-[2-(3-propoxyphenyl)ethyl]guanidine;hydroiodide
CID 110031702
1-cyclopropyl-1-methyl-2-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 110029623
1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110029505
N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide
CID 111074015
2-(8-naphthalen-1-yloxyoctyl)guanidine
CID 70387704

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide (CID 110030405) is 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide is CN(/C(N)=N/CCOc1cccc2ccccc12)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide?
The InChIKey is PNELGKUKYYEIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.HI/c1-20(14-9-10-14)17(18)19-11-12-21-16-8-4-6-13-5-2-3-7-15(13)16;/h2-8,14H,9-12H2,1H3,(H2,18,19);1H.
What are the key properties of 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide?
1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide has a molecular weight of 411.29 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 110030405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).