2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine

C14H27NO2 — CID 121299855

IUPAC2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine
SMILESCCCC=COCCNCCOC=CCCC
InChIInChI=1S/C14H27NO2/c1-3-5-7-11-16-13-9-15-10-14-17-12-8-6-4-2/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3
InChIKeyBUOZLBQNXPMOGW-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.24
Rot. Bonds12

About 2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine

2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine (PubChem CID 121299855) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine.

Molecular Properties

Compound Name2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine
PubChem CID121299855
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Name2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine
SMILESCCCC=COCCNCCOC=CCCC
InChIInChI=1S/C14H27NO2/c1-3-5-7-11-16-13-9-15-10-14-17-12-8-6-4-2/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3
InChIKeyBUOZLBQNXPMOGW-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine?
The IUPAC name of 2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine (CID 121299855) is 2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine.
What is the SMILES notation for 2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine?
The canonical SMILES for 2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine is CCCC=COCCNCCOC=CCCC.
What is the InChIKey of 2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine?
The InChIKey is BUOZLBQNXPMOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-5-7-11-16-13-9-15-10-14-17-12-8-6-4-2/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of 2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine?
2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine has a molecular weight of 241.38 g/mol, XLogP of 3.24, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine is sourced from PubChem (CID 121299855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).