1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide

C12H23IN4O — CID 119150765

IUPAC1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N\C)NC1CCN(CCOC)C1.I
InChIInChI=1S/C12H22N4O.HI/c1-4-6-14-12(13-2)15-11-5-7-16(10-11)8-9-17-3;/h1,11H,5-10H2,2-3H3,(H2,13,14,15);1H
InChIKeyYXPWKIWEABUPDU-UHFFFAOYSA-N
MW366.25 g/mol
LogP0.12
Rot. Bonds5

About 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide

1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide (PubChem CID 119150765) has the molecular formula C12H23IN4O and a molecular weight of 366.25 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
PubChem CID119150765
Molecular FormulaC12H23IN4O
Molecular Weight366.25 g/mol
Exact Mass366.09
IUPAC Name1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N\C)NC1CCN(CCOC)C1.I
InChIInChI=1S/C12H22N4O.HI/c1-4-6-14-12(13-2)15-11-5-7-16(10-11)8-9-17-3;/h1,11H,5-10H2,2-3H3,(H2,13,14,15);1H
InChIKeyYXPWKIWEABUPDU-UHFFFAOYSA-N
XLogP0.12
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;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-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide
CID 119150767
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine
CID 111910545
1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine
CID 47091818
1-[2-(furan-2-yl)ethyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 110055087
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 109462913
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111019565
1-tert-butyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111547184
2-methyl-1-(3-piperidin-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 84584164
1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879160
1-(5-methoxypentyl)-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316831
1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
CID 111991889
3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide
CID 119879163

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide (CID 119150765) is 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide is C#CCN/C(=N\C)NC1CCN(CCOC)C1.I.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide?
The InChIKey is YXPWKIWEABUPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.HI/c1-4-6-14-12(13-2)15-11-5-7-16(10-11)8-9-17-3;/h1,11H,5-10H2,2-3H3,(H2,13,14,15);1H.
What are the key properties of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide?
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide has a molecular weight of 366.25 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide is sourced from PubChem (CID 119150765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).