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

C11H23NO2 — CID 170639915

IUPACN-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine
SMILESC=C(CC)NCCOCCOCCC
InChIInChI=1S/C11H23NO2/c1-4-7-13-9-10-14-8-6-12-11(3)5-2/h12H,3-10H2,1-2H3
InChIKeyQJBCEGQEFWRPBQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.94
Rot. Bonds10

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

N-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine (PubChem CID 170639915) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine.

Molecular Properties

Compound NameN-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine
PubChem CID170639915
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine
SMILESC=C(CC)NCCOCCOCCC
InChIInChI=1S/C11H23NO2/c1-4-7-13-9-10-14-8-6-12-11(3)5-2/h12H,3-10H2,1-2H3
InChIKeyQJBCEGQEFWRPBQ-UHFFFAOYSA-N
XLogP1.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.94
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]but-1-en-2-amine?
The IUPAC name of N-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine (CID 170639915) is N-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine.
What is the SMILES notation for N-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine?
The canonical SMILES for N-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine is C=C(CC)NCCOCCOCCC.
What is the InChIKey of N-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine?
The InChIKey is QJBCEGQEFWRPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-7-13-9-10-14-8-6-12-11(3)5-2/h12H,3-10H2,1-2H3.
What are the key properties of N-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine?
N-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine has a molecular weight of 201.31 g/mol, XLogP of 1.94, 10 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]but-1-en-2-amine is sourced from PubChem (CID 170639915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).