2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol

C9H17NO — CID 129260419

IUPAC2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol
SMILESC/C=C(\C=C/NCCO)CC
InChIInChI=1S/C9H17NO/c1-3-9(4-2)5-6-10-7-8-11/h3,5-6,10-11H,4,7-8H2,1-2H3/b6-5-,9-3-
InChIKeyPOLSAMYBOZRPBG-BLNURASBSA-N
MW155.24 g/mol
LogP1.44
Rot. Bonds5

About 2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol

2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol (PubChem CID 129260419) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol
PubChem CID129260419
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol
SMILESC/C=C(\C=C/NCCO)CC
InChIInChI=1S/C9H17NO/c1-3-9(4-2)5-6-10-7-8-11/h3,5-6,10-11H,4,7-8H2,1-2H3/b6-5-,9-3-
InChIKeyPOLSAMYBOZRPBG-BLNURASBSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol?
The IUPAC name of 2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol (CID 129260419) is 2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol.
What is the SMILES notation for 2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol?
The canonical SMILES for 2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol is C/C=C(\C=C/NCCO)CC.
What is the InChIKey of 2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol?
The InChIKey is POLSAMYBOZRPBG-BLNURASBSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-9(4-2)5-6-10-7-8-11/h3,5-6,10-11H,4,7-8H2,1-2H3/b6-5-,9-3-.
What are the key properties of 2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol?
2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol is sourced from PubChem (CID 129260419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).