1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide

C12H26IN3O2 — CID 111088638

IUPAC1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/CC1(O)CCCC1.I
InChIInChI=1S/C12H25N3O2.HI/c1-2-17-9-5-8-14-11(13)15-10-12(16)6-3-4-7-12;/h16H,2-10H2,1H3,(H3,13,14,15);1H
InChIKeyWFZHTWVHNOIEQT-UHFFFAOYSA-N
MW371.26 g/mol
LogP1.24
Rot. Bonds7

About 1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide

1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide (PubChem CID 111088638) has the molecular formula C12H26IN3O2 and a molecular weight of 371.26 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
PubChem CID111088638
Molecular FormulaC12H26IN3O2
Molecular Weight371.26 g/mol
Exact Mass371.11
IUPAC Name1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/CC1(O)CCCC1.I
InChIInChI=1S/C12H25N3O2.HI/c1-2-17-9-5-8-14-11(13)15-10-12(16)6-3-4-7-12;/h16H,2-10H2,1H3,(H3,13,14,15);1H
InChIKeyWFZHTWVHNOIEQT-UHFFFAOYSA-N
XLogP1.24
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]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

2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111088614
2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-(3-ethoxypropyl)guanidine
CID 111037664
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404749
2-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-1-(3-ethoxypropyl)guanidine
CID 111080703
1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine
CID 104888113
1-(3-ethoxypropyl)-2-(3-octoxypropyl)guanidine
CID 111084645
2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111037013
1-(4-ethoxybutyl)-2-hexylguanidine
CID 111059587
2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111031127
1-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111025700
1-(2-cycloheptyloxyethyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111575872
1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111070159

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide (CID 111088638) is 1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide is CCOCCCN/C(N)=N/CC1(O)CCCC1.I.
What is the InChIKey of 1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide?
The InChIKey is WFZHTWVHNOIEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.HI/c1-2-17-9-5-8-14-11(13)15-10-12(16)6-3-4-7-12;/h16H,2-10H2,1H3,(H3,13,14,15);1H.
What are the key properties of 1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide?
1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide has a molecular weight of 371.26 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111088638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).