2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol

C10H19NO — CID 145095382

IUPAC2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol
SMILESC=C/C=C(\CC)CN(C)CCO
InChIInChI=1S/C10H19NO/c1-4-6-10(5-2)9-11(3)7-8-12/h4,6,12H,1,5,7-9H2,2-3H3/b10-6+
InChIKeyWYBPGCUQLILKAI-UXBLZVDNSA-N
MW169.27 g/mol
LogP1.43
Rot. Bonds6

About 2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol

2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol (PubChem CID 145095382) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol
PubChem CID145095382
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol
SMILESC=C/C=C(\CC)CN(C)CCO
InChIInChI=1S/C10H19NO/c1-4-6-10(5-2)9-11(3)7-8-12/h4,6,12H,1,5,7-9H2,2-3H3/b10-6+
InChIKeyWYBPGCUQLILKAI-UXBLZVDNSA-N
XLogP1.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
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-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol?
The IUPAC name of 2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol (CID 145095382) is 2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol?
The canonical SMILES for 2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol is C=C/C=C(\CC)CN(C)CCO.
What is the InChIKey of 2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol?
The InChIKey is WYBPGCUQLILKAI-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-10(5-2)9-11(3)7-8-12/h4,6,12H,1,5,7-9H2,2-3H3/b10-6+.
What are the key properties of 2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol?
2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol is sourced from PubChem (CID 145095382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).