ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol

C15H33NO — CID 142035452

IUPACethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol
SMILESC=C/C(=C\C)C(O)(CC)CCNC.CC.CC
InChIInChI=1S/C11H21NO.2C2H6/c1-5-10(6-2)11(13,7-3)8-9-12-4;2*1-2/h5-6,12-13H,1,7-9H2,2-4H3;2*1-2H3/b10-6+;;
InChIKeyFRWBQVGOCCCZIS-DOLBFOAYSA-N
MW243.43 g/mol
LogP3.92
Rot. Bonds6

About ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol

ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol (PubChem CID 142035452) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol.

Molecular Properties

Compound Nameethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol
PubChem CID142035452
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Nameethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol
SMILESC=C/C(=C\C)C(O)(CC)CCNC.CC.CC
InChIInChI=1S/C11H21NO.2C2H6/c1-5-10(6-2)11(13,7-3)8-9-12-4;2*1-2/h5-6,12-13H,1,7-9H2,2-4H3;2*1-2H3/b10-6+;;
InChIKeyFRWBQVGOCCCZIS-DOLBFOAYSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol
CID 143088786
4-Methyl-alpha-ethyl-methyl-tyramine
CID 129705387
4-Phenylpiperidin-4-ol;yttrium
CID 58814120
1-Cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
4-[(E)-but-1-enyl]piperidin-4-ol
CID 117613586
4-Penta-2,4-dien-2-ylpiperidin-4-ol
CID 123191311
4-[(3Z,5E)-5-bromohepta-1,3,5-trien-2-yl]piperidin-4-ol
CID 132034392
ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylpiperidin-4-ol
CID 141861829
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidin-4-ol
CID 141862524
4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidin-4-ol
CID 141862525
ethane;4-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-ol
CID 141884063
ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol
CID 141943967

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol?
The IUPAC name of ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol (CID 142035452) is ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol.
What is the SMILES notation for ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol?
The canonical SMILES for ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol is C=C/C(=C\C)C(O)(CC)CCNC.CC.CC.
What is the InChIKey of ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol?
The InChIKey is FRWBQVGOCCCZIS-DOLBFOAYSA-N. The full InChI is InChI=1S/C11H21NO.2C2H6/c1-5-10(6-2)11(13,7-3)8-9-12-4;2*1-2/h5-6,12-13H,1,7-9H2,2-4H3;2*1-2H3/b10-6+;;.
What are the key properties of ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol?
ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol has a molecular weight of 243.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol is sourced from PubChem (CID 142035452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).