2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine

C11H21NO2 — CID 62599382

IUPAC2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCCO1
InChIInChI=1S/C11H21NO2/c1-2-3-7-13-9-6-12-10-11-5-4-8-14-11/h2,11-12H,1,3-10H2
InChIKeyDWDJSAPWDPFPKL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds8

About 2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine

2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 62599382) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID62599382
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCCO1
InChIInChI=1S/C11H21NO2/c1-2-3-7-13-9-6-12-10-11-5-4-8-14-11/h2,11-12H,1,3-10H2
InChIKeyDWDJSAPWDPFPKL-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.35
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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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]prop-2-en-1-amine
CID 28563259
N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine
CID 28563263
N-(oxolan-2-ylmethyl)prop-2-en-1-amine
CID 43179299
N-(oxolan-2-ylmethyl)but-1-en-2-amine
CID 89324768
(E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine
CID 90119764
N-(oxolan-2-ylmethyl)pent-4-en-2-amine
CID 116039434
N-(oxolan-2-ylmethyl)but-3-en-2-amine
CID 116145850
N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine
CID 123628060
N-butyl-N'-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine
CID 123819171
(2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 130367671
(2R)-N-[[(2R)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 130367714
(2S)-N-(oxolan-2-ylmethyl)but-3-en-2-amine
CID 155008675

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine (CID 62599382) is 2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine is C=CCCOCCNCC1CCCO1.
What is the InChIKey of 2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is DWDJSAPWDPFPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-7-13-9-6-12-10-11-5-4-8-14-11/h2,11-12H,1,3-10H2.
What are the key properties of 2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine?
2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 199.29 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62599382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).