1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide

C20H34IN3O3 — CID 111503608

IUPAC1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Oc1ccccc1OC)NCCCOCC1CC1.I
InChIInChI=1S/C20H33N3O3.HI/c1-4-21-20(22-12-7-13-25-15-17-10-11-17)23-14-16(2)26-19-9-6-5-8-18(19)24-3;/h5-6,8-9,16-17H,4,7,10-15H2,1-3H3,(H2,21,22,23);1H
InChIKeyKKYYYWUUZUNTEK-UHFFFAOYSA-N
MW491.41 g/mol
LogP3.45
Rot. Bonds12

About 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide

1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide (PubChem CID 111503608) has the molecular formula C20H34IN3O3 and a molecular weight of 491.41 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
PubChem CID111503608
Molecular FormulaC20H34IN3O3
Molecular Weight491.41 g/mol
Exact Mass491.16
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Oc1ccccc1OC)NCCCOCC1CC1.I
InChIInChI=1S/C20H33N3O3.HI/c1-4-21-20(22-12-7-13-25-15-17-10-11-17)23-14-16(2)26-19-9-6-5-8-18(19)24-3;/h5-6,8-9,16-17H,4,7,10-15H2,1-3H3,(H2,21,22,23);1H
InChIKeyKKYYYWUUZUNTEK-UHFFFAOYSA-N
XLogP3.45
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-(3-methoxypropyl)guanidine
CID 111494506
1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine
CID 111683154
1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682543
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111393334
1-[3-(cyclopropylmethoxy)propyl]-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethylguanidine;hydroiodide
CID 111391794
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111683724
2-[2-(2-chlorophenoxy)propyl]-1-ethyl-3-(3-methoxypropyl)guanidine;hydroiodide
CID 111494389
1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682363
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 111494298
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111340239
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-(2-phenoxypropyl)guanidine
CID 111788822
1-ethyl-3-(5-methoxypentyl)-2-[2-(2-methylphenoxy)propyl]guanidine
CID 111686336

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide (CID 111503608) is 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide is CCN/C(=N\CC(C)Oc1ccccc1OC)NCCCOCC1CC1.I.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?
The InChIKey is KKYYYWUUZUNTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3.HI/c1-4-21-20(22-12-7-13-25-15-17-10-11-17)23-14-16(2)26-19-9-6-5-8-18(19)24-3;/h5-6,8-9,16-17H,4,7,10-15H2,1-3H3,(H2,21,22,23);1H.
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide has a molecular weight of 491.41 g/mol, XLogP of 3.45, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111503608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).