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

C8H17N3 — CID 22977263

IUPACN-ethyl-N'-methylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\C)N1CCCC1
InChIInChI=1S/C8H17N3/c1-3-10-8(9-2)11-6-4-5-7-11/h3-7H2,1-2H3,(H,9,10)
InChIKeyQOHQTCAPNULXHR-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.68
Rot. Bonds1

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

N-ethyl-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 22977263) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N-ethyl-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-methylpyrrolidine-1-carboximidamide
PubChem CID22977263
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN-ethyl-N'-methylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\C)N1CCCC1
InChIInChI=1S/C8H17N3/c1-3-10-8(9-2)11-6-4-5-7-11/h3-7H2,1-2H3,(H,9,10)
InChIKeyQOHQTCAPNULXHR-UHFFFAOYSA-N
XLogP0.68
TPSA27.63 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 ≤ 50.68
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-methylpyrrolidine-1-carboximidamide (CID 22977263) is N-ethyl-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-methylpyrrolidine-1-carboximidamide is CCN/C(=N\C)N1CCCC1.
What is the InChIKey of N-ethyl-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is QOHQTCAPNULXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-10-8(9-2)11-6-4-5-7-11/h3-7H2,1-2H3,(H,9,10).
What are the key properties of N-ethyl-N'-methylpyrrolidine-1-carboximidamide?
N-ethyl-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 155.25 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 22977263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).