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

C13H29IN4O — CID 111098278

IUPAC1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC1CCCN1CCOC.I
InChIInChI=1S/C13H28N4O.HI/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);1H
InChIKeyOAUACUKBAYIMRC-UHFFFAOYSA-N
MW384.31 g/mol
LogP1.37
Rot. Bonds7

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

1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide (PubChem CID 111098278) has the molecular formula C13H29IN4O and a molecular weight of 384.31 g/mol. Its IUPAC name is 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
PubChem CID111098278
Molecular FormulaC13H29IN4O
Molecular Weight384.31 g/mol
Exact Mass384.14
IUPAC Name1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC1CCCN1CCOC.I
InChIInChI=1S/C13H28N4O.HI/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);1H
InChIKeyOAUACUKBAYIMRC-UHFFFAOYSA-N
XLogP1.37
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 51.37
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'}, {'alert_name': 'iodine', '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
2-[(Dimethylamino)methyl]-4-methoxypyrrolidine-1-carboximidamide
CID 178003632
1-Cyclohexyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 53573655
3-morpholin-4-yl-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 55169793
2-Cyclopentyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine
CID 62361643
1-Butan-2-yl-2-cyclopentyl-1-(2-methoxyethyl)guanidine
CID 62362082

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide (CID 111098278) is 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide is CCN(CC)/C(N)=N/CC1CCCN1CCOC.I.
What is the InChIKey of 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide?
The InChIKey is OAUACUKBAYIMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O.HI/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);1H.
What are the key properties of 1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide?
1,1-diethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide has a molecular weight of 384.31 g/mol, XLogP of 1.37, 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;hydroiodide is sourced from PubChem (CID 111098278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).