N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine

C13H25NO2 — CID 104582371

IUPACN-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCOCC1CCOC1
InChIInChI=1S/C13H25NO2/c1-3-4-5-12(2)14-7-9-16-11-13-6-8-15-10-13/h3,12-14H,1,4-11H2,2H3
InChIKeyAYQJBQPYAHCUBN-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.98
Rot. Bonds9

About N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine

N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine (PubChem CID 104582371) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine
PubChem CID104582371
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCOCC1CCOC1
InChIInChI=1S/C13H25NO2/c1-3-4-5-12(2)14-7-9-16-11-13-6-8-15-10-13/h3,12-14H,1,4-11H2,2H3
InChIKeyAYQJBQPYAHCUBN-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine?
The IUPAC name of N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine (CID 104582371) is N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine.
What is the SMILES notation for N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine?
The canonical SMILES for N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine is C=CCCC(C)NCCOCC1CCOC1.
What is the InChIKey of N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine?
The InChIKey is AYQJBQPYAHCUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-5-12(2)14-7-9-16-11-13-6-8-15-10-13/h3,12-14H,1,4-11H2,2H3.
What are the key properties of N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine?
N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine has a molecular weight of 227.35 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine is sourced from PubChem (CID 104582371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).