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

C11H21NO — CID 142035453

IUPAC(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol
SMILESC=C/C(=C\C)C(O)(CC)CCNC
InChIInChI=1S/C11H21NO/c1-5-10(6-2)11(13,7-3)8-9-12-4/h5-6,12-13H,1,7-9H2,2-4H3/b10-6+
InChIKeyLXLBKUCAFFRXFB-UXBLZVDNSA-N
MW183.29 g/mol
LogP1.87
Rot. Bonds6

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

(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol (PubChem CID 142035453) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol.

Molecular Properties

Compound Name(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol
PubChem CID142035453
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol
SMILESC=C/C(=C\C)C(O)(CC)CCNC
InChIInChI=1S/C11H21NO/c1-5-10(6-2)11(13,7-3)8-9-12-4/h5-6,12-13H,1,7-9H2,2-4H3/b10-6+
InChIKeyLXLBKUCAFFRXFB-UXBLZVDNSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.87
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
3-[(4Z,6E)-8,8,8-trifluoro-2,7-dimethylocta-2,4,6-trien-3-yl]pyrrolidin-3-ol
CID 176663337
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-Methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
CID 91242625
4-[(E)-but-1-enyl]piperidin-4-ol
CID 117613586
4-Penta-2,4-dien-2-ylpiperidin-4-ol
CID 123191311
(2Z,4Z)-6-methyl-5-[2-(methylamino)ethyl]hepta-2,4,6-triene-2,3-diol
CID 126729831
(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol
CID 130243944
4-[(3Z,5E)-5-bromohepta-1,3,5-trien-2-yl]piperidin-4-ol
CID 132034392
3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]pyrrolidin-3-ol
CID 134524513

Frequently Asked Questions

What is the IUPAC name of (E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol?
The IUPAC name of (E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol (CID 142035453) is (E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol.
What is the SMILES notation for (E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol?
The canonical SMILES for (E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol is C=C/C(=C\C)C(O)(CC)CCNC.
What is the InChIKey of (E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol?
The InChIKey is LXLBKUCAFFRXFB-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-10(6-2)11(13,7-3)8-9-12-4/h5-6,12-13H,1,7-9H2,2-4H3/b10-6+.
What are the key properties of (E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol?
(E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethenyl-3-ethyl-1-(methylamino)hex-4-en-3-ol is sourced from PubChem (CID 142035453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).