1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine

C20H33N3O3 — CID 109461702

IUPAC1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
SMILESCCOCCC1(CN/C(=N\C)Nc2cccc(OCCCOC)c2)CC1
InChIInChI=1S/C20H33N3O3/c1-4-25-14-11-20(9-10-20)16-22-19(21-2)23-17-7-5-8-18(15-17)26-13-6-12-24-3/h5,7-8,15H,4,6,9-14,16H2,1-3H3,(H2,21,22,23)
InChIKeyPWVWTLHPTCMBCL-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.30
Rot. Bonds12

About 1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine

1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine (PubChem CID 109461702) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
PubChem CID109461702
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
SMILESCCOCCC1(CN/C(=N\C)Nc2cccc(OCCCOC)c2)CC1
InChIInChI=1S/C20H33N3O3/c1-4-25-14-11-20(9-10-20)16-22-19(21-2)23-17-7-5-8-18(15-17)26-13-6-12-24-3/h5,7-8,15H,4,6,9-14,16H2,1-3H3,(H2,21,22,23)
InChIKeyPWVWTLHPTCMBCL-UHFFFAOYSA-N
XLogP3.30
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.30
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'}

Analyze 1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine 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-(3-methoxypropoxy)phenyl]-2-methyl-3-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
CID 109462020
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 109462046
1-[[2-(ethoxymethyl)phenyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109460858
1-[3-(3-methoxypropoxy)phenyl]-2,3-dimethylguanidine
CID 109462402
1-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109460445
1-[3-(4-methoxyphenoxy)propyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109462158
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-(4-phenoxybutyl)guanidine;hydroiodide
CID 109460371
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 109460785
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 109461840
1-[[4-(methoxymethyl)phenyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109461199
1-[(3-chlorophenyl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109460424
1-[(5-ethylthiophen-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109461157

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The IUPAC name of 1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine (CID 109461702) is 1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine.
What is the SMILES notation for 1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The canonical SMILES for 1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine is CCOCCC1(CN/C(=N\C)Nc2cccc(OCCCOC)c2)CC1.
What is the InChIKey of 1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The InChIKey is PWVWTLHPTCMBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-4-25-14-11-20(9-10-20)16-22-19(21-2)23-17-7-5-8-18(15-17)26-13-6-12-24-3/h5,7-8,15H,4,6,9-14,16H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine has a molecular weight of 363.50 g/mol, XLogP of 3.30, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine is sourced from PubChem (CID 109461702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).