3-(ethoxymethyl)pyrrolidine-1-carboximidamide

C8H17N3O — CID 121201460

IUPAC3-(ethoxymethyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(COCC)C1
InChIInChI=1S/C8H17N3O/c1-2-12-6-7-3-4-11(5-7)8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyBXPMFXFQXSVNHZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.24
Rot. Bonds3

About 3-(ethoxymethyl)pyrrolidine-1-carboximidamide

3-(ethoxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 121201460) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(ethoxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(ethoxymethyl)pyrrolidine-1-carboximidamide
PubChem CID121201460
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-(ethoxymethyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(COCC)C1
InChIInChI=1S/C8H17N3O/c1-2-12-6-7-3-4-11(5-7)8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyBXPMFXFQXSVNHZ-UHFFFAOYSA-N
XLogP0.24
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-(Methoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 121202692
3-(Ethoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 121202701
3-(Ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 121203235
(3R)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129495817
(3S)-3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129495818
(3S,4R)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129500611
(3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129500612
(3R,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129500613
(3R,4R)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129500614
(3S,4S)-3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129501729
(3R,4S)-3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129501730
(3R,4R)-3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129501731

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of 3-(ethoxymethyl)pyrrolidine-1-carboximidamide (CID 121201460) is 3-(ethoxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(ethoxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(ethoxymethyl)pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCC(COCC)C1.
What is the InChIKey of 3-(ethoxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is BXPMFXFQXSVNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-12-6-7-3-4-11(5-7)8(9)10/h7H,2-6H2,1H3,(H3,9,10).
What are the key properties of 3-(ethoxymethyl)pyrrolidine-1-carboximidamide?
3-(ethoxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 121201460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).