2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide

C11H26IN3O — CID 111227714

IUPAC2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCOCC(C)C.I
InChIInChI=1S/C11H25N3O.HI/c1-5-6-13-11(12-4)14-7-8-15-9-10(2)3;/h10H,5-9H2,1-4H3,(H2,12,13,14);1H
InChIKeyYZHBQXMQSNWBLX-UHFFFAOYSA-N
MW343.25 g/mol
LogP1.85
Rot. Bonds7

About 2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide

2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide (PubChem CID 111227714) has the molecular formula C11H26IN3O and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide
PubChem CID111227714
Molecular FormulaC11H26IN3O
Molecular Weight343.25 g/mol
Exact Mass343.11
IUPAC Name2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCOCC(C)C.I
InChIInChI=1S/C11H25N3O.HI/c1-5-6-13-11(12-4)14-7-8-15-9-10(2)3;/h10H,5-9H2,1-4H3,(H2,12,13,14);1H
InChIKeyYZHBQXMQSNWBLX-UHFFFAOYSA-N
XLogP1.85
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;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-methyl-1-[3-(2-methylpropoxy)propyl]-3-propylguanidine
CID 111225563
2-methyl-1-(3-methylbutyl)-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 110977931
1-hexyl-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111161882
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 111605965
1-butyl-2-methyl-3-[2-(3-methylbutoxy)ethyl]guanidine;hydroiodide
CID 111151709
2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111373126
2-[[N'-methyl-N-[2-(3-methylbutoxy)ethyl]carbamimidoyl]amino]-N-propylacetamide
CID 111970986
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111768537
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
CID 110998628
1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
CID 111246260
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 111494846
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
CID 111895626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide (CID 111227714) is 2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide is CCCN/C(=N\C)NCCOCC(C)C.I.
What is the InChIKey of 2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide?
The InChIKey is YZHBQXMQSNWBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O.HI/c1-5-6-13-11(12-4)14-7-8-15-9-10(2)3;/h10H,5-9H2,1-4H3,(H2,12,13,14);1H.
What are the key properties of 2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide?
2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide has a molecular weight of 343.25 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111227714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).