2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine

C13H25NO2 — CID 106401791

IUPAC2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
SMILESC=CCCOCCNCC1CCC(C)(C)O1
InChIInChI=1S/C13H25NO2/c1-4-5-9-15-10-8-14-11-12-6-7-13(2,3)16-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeyFDUIHOWUZIPFTM-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds8

About 2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine

2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine (PubChem CID 106401791) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
PubChem CID106401791
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
SMILESC=CCCOCCNCC1CCC(C)(C)O1
InChIInChI=1S/C13H25NO2/c1-4-5-9-15-10-8-14-11-12-6-7-13(2,3)16-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeyFDUIHOWUZIPFTM-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.13
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-[(2-methyloxolan-2-yl)methyl]prop-2-en-1-amine
CID 80171002
1-cyclohex-2-en-1-yl-N-(oxolan-2-ylmethyl)methanamine
CID 24077809
N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 62443250
N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62443251
N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62443255
2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)ethanamine
CID 62572218
N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine
CID 62598167
2-but-3-enoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62598873
2-but-3-enoxy-N-(oxolan-2-ylmethyl)ethanamine
CID 62599382
(But-3-en-1-yl)[(oxolan-2-yl)methyl]amine
CID 64314174
N-(oxolan-2-ylmethyl)pent-4-en-1-amine
CID 64314175
N-(oxolan-2-ylmethyl)-2-pent-4-enoxyethanamine
CID 79113329

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of 2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine (CID 106401791) is 2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine is C=CCCOCCNCC1CCC(C)(C)O1.
What is the InChIKey of 2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine?
The InChIKey is FDUIHOWUZIPFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-5-9-15-10-8-14-11-12-6-7-13(2,3)16-12/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of 2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine?
2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine has a molecular weight of 227.35 g/mol, XLogP of 2.13, 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-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 106401791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).