1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide

C13H20IN3O — CID 75532438

IUPAC1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOc1ccccc1)NC1CC1.I
InChIInChI=1S/C13H19N3O.HI/c1-14-13(16-11-7-8-11)15-9-10-17-12-5-3-2-4-6-12;/h2-6,11H,7-10H2,1H3,(H2,14,15,16);1H
InChIKeyMFPHOEBDSRLARR-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.01
Rot. Bonds5

About 1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide

1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide (PubChem CID 75532438) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
PubChem CID75532438
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOc1ccccc1)NC1CC1.I
InChIInChI=1S/C13H19N3O.HI/c1-14-13(16-11-7-8-11)15-9-10-17-12-5-3-2-4-6-12;/h2-6,11H,7-10H2,1H3,(H2,14,15,16);1H
InChIKeyMFPHOEBDSRLARR-UHFFFAOYSA-N
XLogP2.01
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.01
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-cyclopropyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110933580
1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111335956
ethyl 4-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328313
1-[2-(4-bromophenoxy)ethyl]-3-cyclopentyl-2-methylguanidine;hydroiodide
CID 110990870
1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 110991331
1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110990204
1-cyclopropyl-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 110934292
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111759864
N-[3-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethoxy]phenyl]acetamide
CID 110936954
N-cyclopropyl-2-[4-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111006653
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111759865
1-(1-benzylpiperidin-4-yl)-3-[2-(3-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110985725

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide (CID 75532438) is 1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide is C/N=C(\NCCOc1ccccc1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide?
The InChIKey is MFPHOEBDSRLARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.HI/c1-14-13(16-11-7-8-11)15-9-10-17-12-5-3-2-4-6-12;/h2-6,11H,7-10H2,1H3,(H2,14,15,16);1H.
What are the key properties of 1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide?
1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide has a molecular weight of 361.23 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 75532438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).