3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide

C19H33IN4O2 — CID 111282144

IUPAC3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
SMILESC/N=C(\NCC1CCCN1CCOC)N(C)Cc1ccccc1OC.I
InChIInChI=1S/C19H32N4O2.HI/c1-20-19(21-14-17-9-7-11-23(17)12-13-24-3)22(2)15-16-8-5-6-10-18(16)25-4;/h5-6,8,10,17H,7,9,11-15H2,1-4H3,(H,20,21);1H
InChIKeyOXZVNSLRWFUOIG-UHFFFAOYSA-N
MW476.40 g/mol
LogP2.43
Rot. Bonds8

About 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide

3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide (PubChem CID 111282144) has the molecular formula C19H33IN4O2 and a molecular weight of 476.40 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
PubChem CID111282144
Molecular FormulaC19H33IN4O2
Molecular Weight476.40 g/mol
Exact Mass476.16
IUPAC Name3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
SMILESC/N=C(\NCC1CCCN1CCOC)N(C)Cc1ccccc1OC.I
InChIInChI=1S/C19H32N4O2.HI/c1-20-19(21-14-17-9-7-11-23(17)12-13-24-3)22(2)15-16-8-5-6-10-18(16)25-4;/h5-6,8,10,17H,7,9,11-15H2,1-4H3,(H,20,21);1H
InChIKeyOXZVNSLRWFUOIG-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;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-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111282654
1-butyl-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine
CID 95905478
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 111281061
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111281675
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111282280
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111281720
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359186
1-benzyl-3-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-methylguanidine;hydroiodide
CID 110951543
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine
CID 111564024
3-[(1,1-dioxothiolan-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111282586
1-[2-(2-fluorophenoxy)propyl]-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 111685027
3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111281256

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide (CID 111282144) is 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide is C/N=C(\NCC1CCCN1CCOC)N(C)Cc1ccccc1OC.I.
What is the InChIKey of 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide?
The InChIKey is OXZVNSLRWFUOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2.HI/c1-20-19(21-14-17-9-7-11-23(17)12-13-24-3)22(2)15-16-8-5-6-10-18(16)25-4;/h5-6,8,10,17H,7,9,11-15H2,1-4H3,(H,20,21);1H.
What are the key properties of 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide?
3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide has a molecular weight of 476.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 111282144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).