ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine

C15H29NO — CID 142390425

IUPACethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine
SMILESC=CC(/C=C/C)=C\C(=C)OCCN.CC.CC
InChIInChI=1S/C11H17NO.2C2H6/c1-4-6-11(5-2)9-10(3)13-8-7-12;2*1-2/h4-6,9H,2-3,7-8,12H2,1H3;2*1-2H3/b6-4+,11-9+;;
InChIKeyYOMXBMOHVSJVLM-GYEAHWRISA-N
MW239.40 g/mol
LogP4.22
Rot. Bonds6

About ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine

ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine (PubChem CID 142390425) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine.

Molecular Properties

Compound Nameethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine
PubChem CID142390425
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine
SMILESC=CC(/C=C/C)=C\C(=C)OCCN.CC.CC
InChIInChI=1S/C11H17NO.2C2H6/c1-4-6-11(5-2)9-10(3)13-8-7-12;2*1-2/h4-6,9H,2-3,7-8,12H2,1H3;2*1-2H3/b6-4+,11-9+;;
InChIKeyYOMXBMOHVSJVLM-GYEAHWRISA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine
CID 155416941
2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine
CID 155416966
(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
CID 143904399
2-(Cyclopenta-1,3-dien-1-ylmethoxy)ethanamine
CID 68017375
2-(4-Methylpent-3-en-2-yloxy)ethanamine
CID 87594390
2H-cyclohepta[b]furan-2-ylmethanamine
CID 87962524
(Z,2E)-5-(2-aminoethoxy)-2-ethylidenepent-3-enenitrile
CID 88919297
(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine
CID 88920479
2-(1-Methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 89093675
(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine
CID 89209291
2-[2-(2-Prop-1-enylidenecyclopropylidene)propoxy]ethanamine
CID 90705841
5-Methoxy-3,8-dimethylnona-3,5,7-trien-1-amine
CID 90796927

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine?
The IUPAC name of ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine (CID 142390425) is ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine.
What is the SMILES notation for ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine?
The canonical SMILES for ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine is C=CC(/C=C/C)=C\C(=C)OCCN.CC.CC.
What is the InChIKey of ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine?
The InChIKey is YOMXBMOHVSJVLM-GYEAHWRISA-N. The full InChI is InChI=1S/C11H17NO.2C2H6/c1-4-6-11(5-2)9-10(3)13-8-7-12;2*1-2/h4-6,9H,2-3,7-8,12H2,1H3;2*1-2H3/b6-4+,11-9+;;.
What are the key properties of ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine?
ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine has a molecular weight of 239.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine is sourced from PubChem (CID 142390425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).