2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide

C11H21N3 — CID 131223529

IUPAC2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide
SMILES[H]/N=C(\N)CC1CCN(C2CCCC2)C1
InChIInChI=1S/C11H21N3/c12-11(13)7-9-5-6-14(8-9)10-3-1-2-4-10/h9-10H,1-8H2,(H3,12,13)
InChIKeyOSHFHBKMQLIWPB-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.58
Rot. Bonds3

About 2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide

2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide (PubChem CID 131223529) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide
PubChem CID131223529
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide
SMILES[H]/N=C(\N)CC1CCN(C2CCCC2)C1
InChIInChI=1S/C11H21N3/c12-11(13)7-9-5-6-14(8-9)10-3-1-2-4-10/h9-10H,1-8H2,(H3,12,13)
InChIKeyOSHFHBKMQLIWPB-UHFFFAOYSA-N
XLogP1.58
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide?
The IUPAC name of 2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide (CID 131223529) is 2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide.
What is the SMILES notation for 2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide?
The canonical SMILES for 2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide is [H]/N=C(\N)CC1CCN(C2CCCC2)C1.
What is the InChIKey of 2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide?
The InChIKey is OSHFHBKMQLIWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c12-11(13)7-9-5-6-14(8-9)10-3-1-2-4-10/h9-10H,1-8H2,(H3,12,13).
What are the key properties of 2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide?
2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide has a molecular weight of 195.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide is sourced from PubChem (CID 131223529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).