3-pentyliminopropyl acetate

C10H19NO2 — CID 175881025

IUPAC3-pentyliminopropyl acetate
SMILESCCCCC/N=C/CCOC(C)=O
InChIInChI=1S/C10H19NO2/c1-3-4-5-7-11-8-6-9-13-10(2)12/h8H,3-7,9H2,1-2H3/b11-8+
InChIKeyFCFVGZGMZXVSIV-DHZHZOJOSA-N
MW185.27 g/mol
LogP2.20
Rot. Bonds7

About 3-pentyliminopropyl acetate

3-pentyliminopropyl acetate (PubChem CID 175881025) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-pentyliminopropyl acetate.

Molecular Properties

Compound Name3-pentyliminopropyl acetate
PubChem CID175881025
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-pentyliminopropyl acetate
SMILESCCCCC/N=C/CCOC(C)=O
InChIInChI=1S/C10H19NO2/c1-3-4-5-7-11-8-6-9-13-10(2)12/h8H,3-7,9H2,1-2H3/b11-8+
InChIKeyFCFVGZGMZXVSIV-DHZHZOJOSA-N
XLogP2.20
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentyliminopropyl acetate?
The IUPAC name of 3-pentyliminopropyl acetate (CID 175881025) is 3-pentyliminopropyl acetate.
What is the SMILES notation for 3-pentyliminopropyl acetate?
The canonical SMILES for 3-pentyliminopropyl acetate is CCCCC/N=C/CCOC(C)=O.
What is the InChIKey of 3-pentyliminopropyl acetate?
The InChIKey is FCFVGZGMZXVSIV-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-5-7-11-8-6-9-13-10(2)12/h8H,3-7,9H2,1-2H3/b11-8+.
What are the key properties of 3-pentyliminopropyl acetate?
3-pentyliminopropyl acetate has a molecular weight of 185.27 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyliminopropyl acetate is sourced from PubChem (CID 175881025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).