2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide

C16H26IN3O — CID 111428491

IUPAC2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CCOC1CCCCCC1)Nc1ccccc1
InChIInChI=1S/C16H25N3O.HI/c17-16(19-14-8-4-3-5-9-14)18-12-13-20-15-10-6-1-2-7-11-15;/h3-5,8-9,15H,1-2,6-7,10-13H2,(H3,17,18,19);1H
InChIKeyRTIQZAMLNFXELB-UHFFFAOYSA-N
MW403.31 g/mol
LogP3.77
Rot. Bonds5

About 2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide

2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide (PubChem CID 111428491) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide
PubChem CID111428491
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CCOC1CCCCCC1)Nc1ccccc1
InChIInChI=1S/C16H25N3O.HI/c17-16(19-14-8-4-3-5-9-14)18-12-13-20-15-10-6-1-2-7-11-15;/h3-5,8-9,15H,1-2,6-7,10-13H2,(H3,17,18,19);1H
InChIKeyRTIQZAMLNFXELB-UHFFFAOYSA-N
XLogP3.77
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 53.77
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

2-(2-cycloheptyloxyethyl)-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111812536
2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119147770
2-(2-cycloheptyloxyethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111812567
2-(2-cycloheptyloxyethyl)-1-(3,4-dimethoxyphenyl)guanidine
CID 111812561
2-(2-cyclohexyloxyethyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine;hydroiodide
CID 119120195
2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine
CID 111090001
2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine
CID 111808524
2-(3-cyclohexyloxypropyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111035501
2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111035488
1-tert-butyl-2-(2-cycloheptyloxyethyl)guanidine
CID 111812597
2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111808490
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728

Frequently Asked Questions

What is the IUPAC name of 2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide (CID 111428491) is 2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide is I.N/C(=N\CCOC1CCCCCC1)Nc1ccccc1.
What is the InChIKey of 2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide?
The InChIKey is RTIQZAMLNFXELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.HI/c17-16(19-14-8-4-3-5-9-14)18-12-13-20-15-10-6-1-2-7-11-15;/h3-5,8-9,15H,1-2,6-7,10-13H2,(H3,17,18,19);1H.
What are the key properties of 2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide?
2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide has a molecular weight of 403.31 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 111428491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).