N'-ethyl-3-methoxypyrrolidine-1-carboximidamide

C8H17N3O — CID 103534599

IUPACN'-ethyl-3-methoxypyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(OC)C1
InChIInChI=1S/C8H17N3O/c1-3-10-8(9)11-5-4-7(6-11)12-2/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyBKZJUHDCXZKSKE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.04
Rot. Bonds2

About N'-ethyl-3-methoxypyrrolidine-1-carboximidamide

N'-ethyl-3-methoxypyrrolidine-1-carboximidamide (PubChem CID 103534599) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N'-ethyl-3-methoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-3-methoxypyrrolidine-1-carboximidamide
PubChem CID103534599
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN'-ethyl-3-methoxypyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(OC)C1
InChIInChI=1S/C8H17N3O/c1-3-10-8(9)11-5-4-7(6-11)12-2/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyBKZJUHDCXZKSKE-UHFFFAOYSA-N
XLogP0.04
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
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

(3S)-3-methoxypyrrolidine-1-carboximidamide
CID 89794542
(3R)-3-methoxypyrrolidine-1-carboximidamide
CID 89794543
(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboximidamide
CID 117981667
3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide
CID 123840537
N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide
CID 137434806
N,3-dibutyl-5-methyl-1,3-oxazolidin-2-imine
CID 13514404
(3-Ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium
CID 23261329
1-(2-Methoxyethyl)-1-(3-methoxypropyl)-2-methylguanidine
CID 62360805
2-Ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
CID 62362134
1-(2-Methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine
CID 62362347
3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534592
3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103534593

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-3-methoxypyrrolidine-1-carboximidamide?
The IUPAC name of N'-ethyl-3-methoxypyrrolidine-1-carboximidamide (CID 103534599) is N'-ethyl-3-methoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-3-methoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N'-ethyl-3-methoxypyrrolidine-1-carboximidamide is CC/N=C(\N)N1CCC(OC)C1.
What is the InChIKey of N'-ethyl-3-methoxypyrrolidine-1-carboximidamide?
The InChIKey is BKZJUHDCXZKSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-10-8(9)11-5-4-7(6-11)12-2/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-ethyl-3-methoxypyrrolidine-1-carboximidamide?
N'-ethyl-3-methoxypyrrolidine-1-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3-methoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).