(E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine

C10H19NO2 — CID 107899239

IUPAC(E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine
SMILESC/C=C/CNCC1(OC)CCOC1
InChIInChI=1S/C10H19NO2/c1-3-4-6-11-8-10(12-2)5-7-13-9-10/h3-4,11H,5-9H2,1-2H3/b4-3+
InChIKeyUVNOSLMROKUAMN-ONEGZZNKSA-N
MW185.27 g/mol
LogP0.96
Rot. Bonds5

About (E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine

(E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine (PubChem CID 107899239) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine
PubChem CID107899239
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine
SMILESC/C=C/CNCC1(OC)CCOC1
InChIInChI=1S/C10H19NO2/c1-3-4-6-11-8-10(12-2)5-7-13-9-10/h3-4,11H,5-9H2,1-2H3/b4-3+
InChIKeyUVNOSLMROKUAMN-ONEGZZNKSA-N
XLogP0.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.96
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-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975
N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine
CID 104760902
4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol
CID 104760742
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079
N-[(3-methoxyoxolan-3-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 104760689
4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol
CID 104760933
2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760821
1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
CID 104760822
2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 113450182
N-[2-[(3-methoxyoxolan-3-yl)methylamino]ethyl]acetamide
CID 107529927
4-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104766199
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine?
The IUPAC name of (E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine (CID 107899239) is (E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine.
What is the SMILES notation for (E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine?
The canonical SMILES for (E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine is C/C=C/CNCC1(OC)CCOC1.
What is the InChIKey of (E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine?
The InChIKey is UVNOSLMROKUAMN-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-6-11-8-10(12-2)5-7-13-9-10/h3-4,11H,5-9H2,1-2H3/b4-3+.
What are the key properties of (E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine?
(E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine has a molecular weight of 185.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine is sourced from PubChem (CID 107899239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).