2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol

C11H21NO — CID 138703240

IUPAC2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol
SMILESCC/C=C\C=C(/C)C(C)NCCO
InChIInChI=1S/C11H21NO/c1-4-5-6-7-10(2)11(3)12-8-9-13/h5-7,11-13H,4,8-9H2,1-3H3/b6-5-,10-7+
InChIKeyIQEQYYXGNTYYSV-ZZWPSLBBSA-N
MW183.29 g/mol
LogP1.87
Rot. Bonds6

About 2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol

2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol (PubChem CID 138703240) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol
PubChem CID138703240
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol
SMILESCC/C=C\C=C(/C)C(C)NCCO
InChIInChI=1S/C11H21NO/c1-4-5-6-7-10(2)11(3)12-8-9-13/h5-7,11-13H,4,8-9H2,1-3H3/b6-5-,10-7+
InChIKeyIQEQYYXGNTYYSV-ZZWPSLBBSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.87
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)-3-methylocta-3,5-dien-2-yl]amino]ethanol?
The IUPAC name of 2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol (CID 138703240) is 2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol?
The canonical SMILES for 2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol is CC/C=C\C=C(/C)C(C)NCCO.
What is the InChIKey of 2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol?
The InChIKey is IQEQYYXGNTYYSV-ZZWPSLBBSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-7-10(2)11(3)12-8-9-13/h5-7,11-13H,4,8-9H2,1-3H3/b6-5-,10-7+.
What are the key properties of 2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol?
2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol is sourced from PubChem (CID 138703240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).