3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine

C11H22N2O — CID 123211095

IUPAC3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine
SMILES[H]/N=C(\C)C(C)NC1CCC(OCC)C1
InChIInChI=1S/C11H22N2O/c1-4-14-11-6-5-10(7-11)13-9(3)8(2)12/h9-13H,4-7H2,1-3H3/b12-8+
InChIKeyGPUSYXLDBXBZOT-XYOKQWHBSA-N
MW198.31 g/mol
LogP1.96
Rot. Bonds5

About 3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine

3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine (PubChem CID 123211095) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine
PubChem CID123211095
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine
SMILES[H]/N=C(\C)C(C)NC1CCC(OCC)C1
InChIInChI=1S/C11H22N2O/c1-4-14-11-6-5-10(7-11)13-9(3)8(2)12/h9-13H,4-7H2,1-3H3/b12-8+
InChIKeyGPUSYXLDBXBZOT-XYOKQWHBSA-N
XLogP1.96
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine (CID 123211095) is 3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine is [H]/N=C(\C)C(C)NC1CCC(OCC)C1.
What is the InChIKey of 3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine?
The InChIKey is GPUSYXLDBXBZOT-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-14-11-6-5-10(7-11)13-9(3)8(2)12/h9-13H,4-7H2,1-3H3/b12-8+.
What are the key properties of 3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine?
3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-iminobutan-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 123211095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).