1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide

C14H22IN3O — CID 110030946

IUPAC1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/CC(O)Cc1ccccc1)C1CC1.I
InChIInChI=1S/C14H21N3O.HI/c1-17(12-7-8-12)14(15)16-10-13(18)9-11-5-3-2-4-6-11;/h2-6,12-13,18H,7-10H2,1H3,(H2,15,16);1H
InChIKeyUJNXNZCHNCYUQA-UHFFFAOYSA-N
MW375.25 g/mol
LogP1.62
Rot. Bonds5

About 1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide

1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide (PubChem CID 110030946) has the molecular formula C14H22IN3O and a molecular weight of 375.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide
PubChem CID110030946
Molecular FormulaC14H22IN3O
Molecular Weight375.25 g/mol
Exact Mass375.08
IUPAC Name1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/CC(O)Cc1ccccc1)C1CC1.I
InChIInChI=1S/C14H21N3O.HI/c1-17(12-7-8-12)14(15)16-10-13(18)9-11-5-3-2-4-6-11;/h2-6,12-13,18H,7-10H2,1H3,(H2,15,16);1H
InChIKeyUJNXNZCHNCYUQA-UHFFFAOYSA-N
XLogP1.62
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 51.62
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'}

Analyze 1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;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-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide
CID 110029419
1-cyclopropyl-1-methyl-2-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]guanidine;hydroiodide
CID 110030458
2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide
CID 111099855
1-cyclopropyl-2-(2-hydroxy-2-phenylpropyl)-1-methylguanidine;hydroiodide
CID 110031488
2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide
CID 110030596
1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine
CID 110031689
1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 110029535
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110029505
1-cyclopropyl-1-methyl-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110029979
1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide
CID 110031022
1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099830

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide (CID 110030946) is 1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide is CN(/C(N)=N/CC(O)Cc1ccccc1)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide?
The InChIKey is UJNXNZCHNCYUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.HI/c1-17(12-7-8-12)14(15)16-10-13(18)9-11-5-3-2-4-6-11;/h2-6,12-13,18H,7-10H2,1H3,(H2,15,16);1H.
What are the key properties of 1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide has a molecular weight of 375.25 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110030946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).