1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide

C17H28IN3O — CID 110991884

IUPAC1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCC(C)c1ccccc1OC)NC1CCCC1.I
InChIInChI=1S/C17H27N3O.HI/c1-13(15-10-6-7-11-16(15)21-3)12-19-17(18-2)20-14-8-4-5-9-14;/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H2,18,19,20);1H
InChIKeyHQUWUROVECBKPF-UHFFFAOYSA-N
MW417.34 g/mol
LogP3.52
Rot. Bonds5

About 1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide

1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide (PubChem CID 110991884) has the molecular formula C17H28IN3O and a molecular weight of 417.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
PubChem CID110991884
Molecular FormulaC17H28IN3O
Molecular Weight417.34 g/mol
Exact Mass417.13
IUPAC Name1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCC(C)c1ccccc1OC)NC1CCCC1.I
InChIInChI=1S/C17H27N3O.HI/c1-13(15-10-6-7-11-16(15)21-3)12-19-17(18-2)20-14-8-4-5-9-14;/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H2,18,19,20);1H
InChIKeyHQUWUROVECBKPF-UHFFFAOYSA-N
XLogP3.52
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 53.52
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-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256928
1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111493148
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179155
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342342
1-butan-2-yl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
CID 110945322
1-cyclopentyl-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine;hydroiodide
CID 111771205
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703054
1-(3-ethoxypropyl)-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
CID 111224675
1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
CID 109400680
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111393554
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111372596
1-[(2,5-difluorophenyl)methyl]-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
CID 111901791

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide (CID 110991884) is 1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide is C/N=C(\NCC(C)c1ccccc1OC)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide?
The InChIKey is HQUWUROVECBKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.HI/c1-13(15-10-6-7-11-16(15)21-3)12-19-17(18-2)20-14-8-4-5-9-14;/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide?
1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide has a molecular weight of 417.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110991884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).