N-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine

C13H27NO2 — CID 170639894

IUPACN-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine
SMILESC=C(CCCC)NCCOCCOCCC
InChIInChI=1S/C13H27NO2/c1-4-6-7-13(3)14-8-10-16-12-11-15-9-5-2/h14H,3-12H2,1-2H3
InChIKeyOCYUVSIQPYBBIG-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.72
Rot. Bonds12

About N-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine

N-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine (PubChem CID 170639894) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine.

Molecular Properties

Compound NameN-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine
PubChem CID170639894
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine
SMILESC=C(CCCC)NCCOCCOCCC
InChIInChI=1S/C13H27NO2/c1-4-6-7-13(3)14-8-10-16-12-11-15-9-5-2/h14H,3-12H2,1-2H3
InChIKeyOCYUVSIQPYBBIG-UHFFFAOYSA-N
XLogP2.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine?
The IUPAC name of N-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine (CID 170639894) is N-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine.
What is the SMILES notation for N-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine?
The canonical SMILES for N-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine is C=C(CCCC)NCCOCCOCCC.
What is the InChIKey of N-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine?
The InChIKey is OCYUVSIQPYBBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-6-7-13(3)14-8-10-16-12-11-15-9-5-2/h14H,3-12H2,1-2H3.
What are the key properties of N-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine?
N-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.72, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propoxyethoxy)ethyl]hex-1-en-2-amine is sourced from PubChem (CID 170639894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).