2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol

C8H15NO — CID 121388690

IUPAC2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol
SMILESC=C/C=C(\C)CNCCO
InChIInChI=1S/C8H15NO/c1-3-4-8(2)7-9-5-6-10/h3-4,9-10H,1,5-7H2,2H3/b8-4+
InChIKeyNFLMHCHYSVWRIY-XBXARRHUSA-N
MW141.21 g/mol
LogP0.70
Rot. Bonds5

About 2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol

2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol (PubChem CID 121388690) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol
PubChem CID121388690
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol
SMILESC=C/C=C(\C)CNCCO
InChIInChI=1S/C8H15NO/c1-3-4-8(2)7-9-5-6-10/h3-4,9-10H,1,5-7H2,2H3/b8-4+
InChIKeyNFLMHCHYSVWRIY-XBXARRHUSA-N
XLogP0.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.70
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-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol?
The IUPAC name of 2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol (CID 121388690) is 2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol.
What is the SMILES notation for 2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol?
The canonical SMILES for 2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol is C=C/C=C(\C)CNCCO.
What is the InChIKey of 2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol?
The InChIKey is NFLMHCHYSVWRIY-XBXARRHUSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-8(2)7-9-5-6-10/h3-4,9-10H,1,5-7H2,2H3/b8-4+.
What are the key properties of 2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol?
2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol has a molecular weight of 141.21 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-2-methylpenta-2,4-dienyl]amino]ethanol is sourced from PubChem (CID 121388690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).