N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide

C10H22N4O — CID 104888422

IUPACN-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
SMILESCCC1CCN(/C(=N/CCOC)NN)C1
InChIInChI=1S/C10H22N4O/c1-3-9-4-6-14(8-9)10(13-11)12-5-7-15-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeySVBSEVVCWXTEGO-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.18
Rot. Bonds4

About N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide

N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide (PubChem CID 104888422) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
PubChem CID104888422
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
SMILESCCC1CCN(/C(=N/CCOC)NN)C1
InChIInChI=1S/C10H22N4O/c1-3-9-4-6-14(8-9)10(13-11)12-5-7-15-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeySVBSEVVCWXTEGO-UHFFFAOYSA-N
XLogP0.18
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-(2-methoxyethyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736890
N-amino-3-methoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 103542263
N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide
CID 104887299
N-amino-N'-(3-ethoxypropyl)-3-propylpyrrolidine-1-carboximidamide
CID 104888291
N-amino-N'-(2-methoxyethyl)-2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
CID 104887804
N-amino-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 104882303
N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
CID 104884380
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(2-methoxyethoxy)propyl]pyrrolidine-1-carboximidamide
CID 111747795
N-amino-N'-(3-methoxypropyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
CID 104887576
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(2-methoxyethoxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111747794
N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 104886953
N-amino-4-ethyl-N'-methylpiperidine-1-carboximidamide
CID 104882168

Frequently Asked Questions

What is the IUPAC name of N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide (CID 104888422) is N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide is CCC1CCN(/C(=N/CCOC)NN)C1.
What is the InChIKey of N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide?
The InChIKey is SVBSEVVCWXTEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-3-9-4-6-14(8-9)10(13-11)12-5-7-15-2/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide?
N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide has a molecular weight of 214.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-ethyl-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 104888422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).