ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine

C15H33NO — CID 143677797

IUPACethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine
SMILESC=C/C(=C\C)CN(CC)CCOC.CC.CC
InChIInChI=1S/C11H21NO.2C2H6/c1-5-11(6-2)10-12(7-3)8-9-13-4;2*1-2/h5-6H,1,7-10H2,2-4H3;2*1-2H3/b11-6+;;
InChIKeyXGVKKBPFZFOGAK-QVLKBJGCSA-N
MW243.43 g/mol
LogP4.14
Rot. Bonds7

About ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine

ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine (PubChem CID 143677797) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine
PubChem CID143677797
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Nameethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine
SMILESC=C/C(=C\C)CN(CC)CCOC.CC.CC
InChIInChI=1S/C11H21NO.2C2H6/c1-5-11(6-2)10-12(7-3)8-9-13-4;2*1-2/h5-6H,1,7-10H2,2-4H3;2*1-2H3/b11-6+;;
InChIKeyXGVKKBPFZFOGAK-QVLKBJGCSA-N
XLogP4.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 135183389
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CID 144845989
(2R)-1-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 103935037
1-[ethyl(2-methoxyethyl)amino]-3-phenylpropan-2-one
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2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
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(E)-N-ethyl-N-(2-methoxyethyl)but-2-en-2-amine
CID 138661036

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine?
The IUPAC name of ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine (CID 143677797) is ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine.
What is the SMILES notation for ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine?
The canonical SMILES for ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine is C=C/C(=C\C)CN(CC)CCOC.CC.CC.
What is the InChIKey of ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine?
The InChIKey is XGVKKBPFZFOGAK-QVLKBJGCSA-N. The full InChI is InChI=1S/C11H21NO.2C2H6/c1-5-11(6-2)10-12(7-3)8-9-13-4;2*1-2/h5-6H,1,7-10H2,2-4H3;2*1-2H3/b11-6+;;.
What are the key properties of ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine?
ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine has a molecular weight of 243.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine is sourced from PubChem (CID 143677797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).