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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Related Compounds

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CID 156032892
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CID 145213432
(6-Methyl-1,2-dihydropyridin-2-yl)methanol
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2-(Cyclohexa-1,5-dien-1-ylamino)ethanol
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2-(Cyclohexa-1,3-dien-1-ylamino)ethanol
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CID 70455378
(3Z)-3-amino-5-(2-hydroxyethylamino)-2-methylhexa-3,5-dien-2-ol
CID 87287397
2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol
CID 88544382
2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol
CID 88881134
2-[Cyclohexa-1,5-dien-1-yl(ethyl)amino]ethanol
CID 89352332
2-[[(Z)-2-methylidenepent-3-enyl]amino]ethanol
CID 89861478
2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol
CID 90130168

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).