2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol

C9H15NO — CID 142933959

IUPAC2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol
SMILESC=C/C=C(\C=C/C)NCCO
InChIInChI=1S/C9H15NO/c1-3-5-9(6-4-2)10-7-8-11/h3-6,10-11H,1,7-8H2,2H3/b6-4-,9-5+
InChIKeyDECBVSUYLPFJGF-QUNSIMLLSA-N
MW153.22 g/mol
LogP1.21
Rot. Bonds5

About 2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol

2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol (PubChem CID 142933959) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol
PubChem CID142933959
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol
SMILESC=C/C=C(\C=C/C)NCCO
InChIInChI=1S/C9H15NO/c1-3-5-9(6-4-2)10-7-8-11/h3-6,10-11H,1,7-8H2,2H3/b6-4-,9-5+
InChIKeyDECBVSUYLPFJGF-QUNSIMLLSA-N
XLogP1.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.21
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 2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol?
The IUPAC name of 2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol (CID 142933959) is 2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol?
The canonical SMILES for 2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol is C=C/C=C(\C=C/C)NCCO.
What is the InChIKey of 2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol?
The InChIKey is DECBVSUYLPFJGF-QUNSIMLLSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-9(6-4-2)10-7-8-11/h3-6,10-11H,1,7-8H2,2H3/b6-4-,9-5+.
What are the key properties of 2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol?
2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol has a molecular weight of 153.22 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol is sourced from PubChem (CID 142933959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).