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

C13H27NO3 — CID 172597926

IUPACN-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine
SMILESC=C(CC)NCCOCCOCCOCCC
InChIInChI=1S/C13H27NO3/c1-4-7-15-9-11-17-12-10-16-8-6-14-13(3)5-2/h14H,3-12H2,1-2H3
InChIKeyLOURVOCUIALCOU-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.96
Rot. Bonds13

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

N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine (PubChem CID 172597926) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine
PubChem CID172597926
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine
SMILESC=C(CC)NCCOCCOCCOCCC
InChIInChI=1S/C13H27NO3/c1-4-7-15-9-11-17-12-10-16-8-6-14-13(3)5-2/h14H,3-12H2,1-2H3
InChIKeyLOURVOCUIALCOU-UHFFFAOYSA-N
XLogP1.96
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine?
The IUPAC name of N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine (CID 172597926) is N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine.
What is the SMILES notation for N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine?
The canonical SMILES for N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine is C=C(CC)NCCOCCOCCOCCC.
What is the InChIKey of N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine?
The InChIKey is LOURVOCUIALCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-4-7-15-9-11-17-12-10-16-8-6-14-13(3)5-2/h14H,3-12H2,1-2H3.
What are the key properties of N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine?
N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine has a molecular weight of 245.36 g/mol, XLogP of 1.96, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine is sourced from PubChem (CID 172597926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).