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

C11H24N4O — CID 75494017

IUPAC1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC1CCCN1CCOC
InChIInChI=1S/C11H24N4O/c1-12-11(13-2)14-9-10-5-4-6-15(10)7-8-16-3/h10H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyVOXMHQYMCNCPGQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.11
Rot. Bonds5

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

1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine (PubChem CID 75494017) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine
PubChem CID75494017
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC1CCCN1CCOC
InChIInChI=1S/C11H24N4O/c1-12-11(13-2)14-9-10-5-4-6-15(10)7-8-16-3/h10H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyVOXMHQYMCNCPGQ-UHFFFAOYSA-N
XLogP-0.11
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.11
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'}

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Related Compounds

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377088
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377089
N-ethyl-N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378793
N-ethyl-N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378794
1-[[1-(2-Methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472468
1-[[1-(2-Methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109472469
1-Ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473994
1-Ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473995
2-(2-Methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110916962
1-(2-Methoxyethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110940089
1-(2-Methoxyethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110940090
1-Ethyl-2-(2-methoxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110940091

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine (CID 75494017) is 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCC1CCCN1CCOC.
What is the InChIKey of 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine?
The InChIKey is VOXMHQYMCNCPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-12-11(13-2)14-9-10-5-4-6-15(10)7-8-16-3/h10H,4-9H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine?
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine has a molecular weight of 228.34 g/mol, XLogP of -0.11, 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-2-yl]methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 75494017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).