ethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol

C11H23NO — CID 142226486

IUPACethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol
SMILESC/C=C\C(=C/CC)NCCO.CC
InChIInChI=1S/C9H17NO.C2H6/c1-3-5-9(6-4-2)10-7-8-11;1-2/h3,5-6,10-11H,4,7-8H2,1-2H3;1-2H3/b5-3-,9-6+;
InChIKeyDIFJWCXBGCDJHI-XRVNEYCPSA-N
MW185.31 g/mol
LogP2.46
Rot. Bonds5

About ethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol

ethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol (PubChem CID 142226486) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol.

Molecular Properties

Compound Nameethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol
PubChem CID142226486
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol
SMILESC/C=C\C(=C/CC)NCCO.CC
InChIInChI=1S/C9H17NO.C2H6/c1-3-5-9(6-4-2)10-7-8-11;1-2/h3,5-6,10-11H,4,7-8H2,1-2H3;1-2H3/b5-3-,9-6+;
InChIKeyDIFJWCXBGCDJHI-XRVNEYCPSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol?
The IUPAC name of ethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol (CID 142226486) is ethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol.
What is the SMILES notation for ethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol?
The canonical SMILES for ethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol is C/C=C\C(=C/CC)NCCO.CC.
What is the InChIKey of ethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol?
The InChIKey is DIFJWCXBGCDJHI-XRVNEYCPSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-3-5-9(6-4-2)10-7-8-11;1-2/h3,5-6,10-11H,4,7-8H2,1-2H3;1-2H3/b5-3-,9-6+;.
What are the key properties of ethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol?
ethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol has a molecular weight of 185.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethanol is sourced from PubChem (CID 142226486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).