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

C16H31NO2 — CID 121299803

IUPAC2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine
SMILESCCCCC=COCCNCCOC=CCCCC
InChIInChI=1S/C16H31NO2/c1-3-5-7-9-13-18-15-11-17-12-16-19-14-10-8-6-4-2/h9-10,13-14,17H,3-8,11-12,15-16H2,1-2H3
InChIKeyCXOZNDGUNNDMAF-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.02
Rot. Bonds14

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

2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine (PubChem CID 121299803) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine.

Molecular Properties

Compound Name2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine
PubChem CID121299803
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine
SMILESCCCCC=COCCNCCOC=CCCCC
InChIInChI=1S/C16H31NO2/c1-3-5-7-9-13-18-15-11-17-12-16-19-14-10-8-6-4-2/h9-10,13-14,17H,3-8,11-12,15-16H2,1-2H3
InChIKeyCXOZNDGUNNDMAF-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.02
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-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine?
The IUPAC name of 2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine (CID 121299803) is 2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine.
What is the SMILES notation for 2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine?
The canonical SMILES for 2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine is CCCCC=COCCNCCOC=CCCCC.
What is the InChIKey of 2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine?
The InChIKey is CXOZNDGUNNDMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-5-7-9-13-18-15-11-17-12-16-19-14-10-8-6-4-2/h9-10,13-14,17H,3-8,11-12,15-16H2,1-2H3.
What are the key properties of 2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine?
2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine has a molecular weight of 269.43 g/mol, XLogP of 4.02, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-enoxy-N-(2-hex-1-enoxyethyl)ethanamine is sourced from PubChem (CID 121299803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).