1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine

C13H28N4O — CID 111098279

IUPAC1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
SMILESCCN(CC)/C(N)=N/CC1CCCN1CCOC
InChIInChI=1S/C13H28N4O/c1-4-16(5-2)13(14)15-11-12-7-6-8-17(12)9-10-18-3/h12H,4-11H2,1-3H3,(H2,14,15)
InChIKeyRMGWMTLECBAMAX-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.75
Rot. Bonds7

About 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine

1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine (PubChem CID 111098279) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
PubChem CID111098279
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
SMILESCCN(CC)/C(N)=N/CC1CCCN1CCOC
InChIInChI=1S/C13H28N4O/c1-4-16(5-2)13(14)15-11-12-7-6-8-17(12)9-10-18-3/h12H,4-11H2,1-3H3,(H2,14,15)
InChIKeyRMGWMTLECBAMAX-UHFFFAOYSA-N
XLogP0.75
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.75
H-Bond Donors ≤ 51
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

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
triethyl-[[1-[(E)-N'-[N-methyl-N-[4-(4-methylmorpholin-4-ium-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 58529161
triethyl-[[1-[N'-[N-methyl-N-[4-(4-methylmorpholin-4-ium-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 67985975
triethyl-[[1-[N'-[N-methyl-N-[4-(3-methylmorpholin-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 123600864
triethyl-[[1-[(E)-N'-[N-methyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 144289382
triethyl-[[1-[N'-[N-methyl-N-[4-(4-methylmorpholin-4-ium-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium dibromide
CID 158705211
methane;triethyl-[[1-[N'-[N-methyl-N-[4-(4-methylmorpholin-4-ium-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium;dibromide
CID 161786698
N'-methyl-8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboximidamide
CID 177162495
2-[(Dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide
CID 178003632

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine?
The IUPAC name of 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine (CID 111098279) is 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine.
What is the SMILES notation for 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine?
The canonical SMILES for 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine is CCN(CC)/C(N)=N/CC1CCCN1CCOC.
What is the InChIKey of 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine?
The InChIKey is RMGWMTLECBAMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-16(5-2)13(14)15-11-12-7-6-8-17(12)9-10-18-3/h12H,4-11H2,1-3H3,(H2,14,15).
What are the key properties of 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine?
1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine has a molecular weight of 256.39 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine is sourced from PubChem (CID 111098279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).