N'-ethyl-3-methylpyrrolidine-1-carboximidamide

C8H17N3 — CID 62362781

IUPACN'-ethyl-3-methylpyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(C)C1
InChIInChI=1S/C8H17N3/c1-3-10-8(9)11-5-4-7(2)6-11/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyIRBQFWGRPQCRRG-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.66
Rot. Bonds1

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

N'-ethyl-3-methylpyrrolidine-1-carboximidamide (PubChem CID 62362781) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N'-ethyl-3-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-3-methylpyrrolidine-1-carboximidamide
PubChem CID62362781
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN'-ethyl-3-methylpyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(C)C1
InChIInChI=1S/C8H17N3/c1-3-10-8(9)11-5-4-7(2)6-11/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyIRBQFWGRPQCRRG-UHFFFAOYSA-N
XLogP0.66
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N',4-diethylpiperidine-1-carboximidamide
CID 62361453
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111800631
N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111022707
4-methyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920150
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
ethyl 1-(N'-ethylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide
CID 111157305
4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
CID 111435807
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N'-ethylpiperazine-1-carboximidamide
CID 54270483

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-3-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-ethyl-3-methylpyrrolidine-1-carboximidamide (CID 62362781) is N'-ethyl-3-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-3-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-ethyl-3-methylpyrrolidine-1-carboximidamide is CC/N=C(\N)N1CCC(C)C1.
What is the InChIKey of N'-ethyl-3-methylpyrrolidine-1-carboximidamide?
The InChIKey is IRBQFWGRPQCRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-10-8(9)11-5-4-7(2)6-11/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-ethyl-3-methylpyrrolidine-1-carboximidamide?
N'-ethyl-3-methylpyrrolidine-1-carboximidamide has a molecular weight of 155.25 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 62362781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).