2-ethylpyrrolidine-1-carboximidamide

C7H15N3 — CID 60973298

IUPAC2-ethylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1CC
InChIInChI=1S/C7H15N3/c1-2-6-4-3-5-10(6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)
InChIKeyMAODBKWNQIJPBL-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.75
Rot. Bonds1

About 2-ethylpyrrolidine-1-carboximidamide

2-ethylpyrrolidine-1-carboximidamide (PubChem CID 60973298) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-ethylpyrrolidine-1-carboximidamide
PubChem CID60973298
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2-ethylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1CC
InChIInChI=1S/C7H15N3/c1-2-6-4-3-5-10(6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)
InChIKeyMAODBKWNQIJPBL-UHFFFAOYSA-N
XLogP0.75
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
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 2-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of 2-ethylpyrrolidine-1-carboximidamide (CID 60973298) is 2-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for 2-ethylpyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCCC1CC.
What is the InChIKey of 2-ethylpyrrolidine-1-carboximidamide?
The InChIKey is MAODBKWNQIJPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-2-6-4-3-5-10(6)7(8)9/h6H,2-5H2,1H3,(H3,8,9).
What are the key properties of 2-ethylpyrrolidine-1-carboximidamide?
2-ethylpyrrolidine-1-carboximidamide has a molecular weight of 141.22 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 60973298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).