N-[(E)-but-2-enyl]-N-methyloxetan-3-amine

C8H15NO — CID 144509687

IUPACN-[(E)-but-2-enyl]-N-methyloxetan-3-amine
SMILESC/C=C/CN(C)C1COC1
InChIInChI=1S/C8H15NO/c1-3-4-5-9(2)8-6-10-7-8/h3-4,8H,5-7H2,1-2H3/b4-3+
InChIKeyDBOQAXHLTHJDQG-ONEGZZNKSA-N
MW141.21 g/mol
LogP0.89
Rot. Bonds3

About N-[(E)-but-2-enyl]-N-methyloxetan-3-amine

N-[(E)-but-2-enyl]-N-methyloxetan-3-amine (PubChem CID 144509687) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-N-methyloxetan-3-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-N-methyloxetan-3-amine
PubChem CID144509687
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-[(E)-but-2-enyl]-N-methyloxetan-3-amine
SMILESC/C=C/CN(C)C1COC1
InChIInChI=1S/C8H15NO/c1-3-4-5-9(2)8-6-10-7-8/h3-4,8H,5-7H2,1-2H3/b4-3+
InChIKeyDBOQAXHLTHJDQG-ONEGZZNKSA-N
XLogP0.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-methylprop-2-en-1-amine
CID 17986150
2-Methoxyethyl-methyl-bis(prop-2-enyl)azanium
CID 20473697
N-(2-methoxyethyl)-N-prop-2-enylprop-2-en-1-amine
CID 54257688
(E)-N-(2-methoxyethyl)-N-methylbut-2-en-1-amine
CID 59701796
N-(2-methoxyethyl)-N-methylbut-2-en-1-amine
CID 72362274
1-(2-Methoxyethyl)-2,5-dihydropyrrole
CID 89330823
N,N-bis(prop-2-enyl)oxetan-3-amine
CID 118174858
3-Methyl-1-(oxetan-3-yl)-2,5-dihydropyrrole
CID 118553657
N-methyl-N-prop-2-enyloxetan-3-amine
CID 123831880
N-methyl-N-(2-methylprop-2-enyl)oxetan-3-amine
CID 131160434
Diethyl-(2-methoxyethyl)-prop-2-enylazanium
CID 140082404
1-(Oxetan-3-yl)-2,5-dihydropyrrole
CID 140320882

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-N-methyloxetan-3-amine?
The IUPAC name of N-[(E)-but-2-enyl]-N-methyloxetan-3-amine (CID 144509687) is N-[(E)-but-2-enyl]-N-methyloxetan-3-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-N-methyloxetan-3-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-N-methyloxetan-3-amine is C/C=C/CN(C)C1COC1.
What is the InChIKey of N-[(E)-but-2-enyl]-N-methyloxetan-3-amine?
The InChIKey is DBOQAXHLTHJDQG-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-9(2)8-6-10-7-8/h3-4,8H,5-7H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-N-methyloxetan-3-amine?
N-[(E)-but-2-enyl]-N-methyloxetan-3-amine has a molecular weight of 141.21 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-N-methyloxetan-3-amine is sourced from PubChem (CID 144509687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).