1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol

C9H17NO — CID 122680924

IUPAC1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol
SMILESCC(C)=C/C=C\CNC(C)O
InChIInChI=1S/C9H17NO/c1-8(2)6-4-5-7-10-9(3)11/h4-6,9-11H,7H2,1-3H3/b5-4-
InChIKeyTXHBMYYZISYFDA-PLNGDYQASA-N
MW155.24 g/mol
LogP1.44
Rot. Bonds4

About 1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol

1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol (PubChem CID 122680924) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol.

Molecular Properties

Compound Name1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol
PubChem CID122680924
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol
SMILESCC(C)=C/C=C\CNC(C)O
InChIInChI=1S/C9H17NO/c1-8(2)6-4-5-7-10-9(3)11/h4-6,9-11H,7H2,1-3H3/b5-4-
InChIKeyTXHBMYYZISYFDA-PLNGDYQASA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol?
The IUPAC name of 1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol (CID 122680924) is 1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol.
What is the SMILES notation for 1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol?
The canonical SMILES for 1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol is CC(C)=C/C=C\CNC(C)O.
What is the InChIKey of 1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol?
The InChIKey is TXHBMYYZISYFDA-PLNGDYQASA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)6-4-5-7-10-9(3)11/h4-6,9-11H,7H2,1-3H3/b5-4-.
What are the key properties of 1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol?
1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol is sourced from PubChem (CID 122680924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).