1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide

C17H30IN3O2 — CID 111820601

IUPAC1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
SMILESCCCCCCN/C(N)=N/CC(C)Oc1ccccc1OC.I
InChIInChI=1S/C17H29N3O2.HI/c1-4-5-6-9-12-19-17(18)20-13-14(2)22-16-11-8-7-10-15(16)21-3;/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H3,18,19,20);1H
InChIKeyBULAPBADSQVMKH-UHFFFAOYSA-N
MW435.35 g/mol
LogP3.57
Rot. Bonds10

About 1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide

1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide (PubChem CID 111820601) has the molecular formula C17H30IN3O2 and a molecular weight of 435.35 g/mol. Its IUPAC name is 1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
PubChem CID111820601
Molecular FormulaC17H30IN3O2
Molecular Weight435.35 g/mol
Exact Mass435.14
IUPAC Name1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
SMILESCCCCCCN/C(N)=N/CC(C)Oc1ccccc1OC.I
InChIInChI=1S/C17H29N3O2.HI/c1-4-5-6-9-12-19-17(18)20-13-14(2)22-16-11-8-7-10-15(16)21-3;/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H3,18,19,20);1H
InChIKeyBULAPBADSQVMKH-UHFFFAOYSA-N
XLogP3.57
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
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-hexyl-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-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682363
1-butyl-2-[2-(2-fluorophenoxy)propyl]guanidine
CID 111684162
1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 111097623
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111820551
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine
CID 111820552
2-[2-(2-bromophenoxy)propyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111752735
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-(3-methoxypropyl)guanidine
CID 111494506
N-[2-(2-methoxyphenoxy)propyl]pentan-1-amine
CID 62572608
2-[(2,3-dimethoxyphenyl)methyl]-1-hexylguanidine
CID 111045824
2-(3-hydroxy-2-phenylpropyl)-1-octylguanidine;hydroiodide
CID 111799965
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111682347
2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-octylguanidine
CID 111067464

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide (CID 111820601) is 1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide is CCCCCCN/C(N)=N/CC(C)Oc1ccccc1OC.I.
What is the InChIKey of 1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?
The InChIKey is BULAPBADSQVMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.HI/c1-4-5-6-9-12-19-17(18)20-13-14(2)22-16-11-8-7-10-15(16)21-3;/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H3,18,19,20);1H.
What are the key properties of 1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?
1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide has a molecular weight of 435.35 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111820601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).