2-[[(E)-hex-3-en-3-yl]amino]ethanol

C8H17NO — CID 170145428

IUPAC2-[[(E)-hex-3-en-3-yl]amino]ethanol
SMILESCC/C=C(\CC)NCCO
InChIInChI=1S/C8H17NO/c1-3-5-8(4-2)9-6-7-10/h5,9-10H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyXGJJQDZAHRROEM-VMPITWQZSA-N
MW143.23 g/mol
LogP1.27
Rot. Bonds5

About 2-[[(E)-hex-3-en-3-yl]amino]ethanol

2-[[(E)-hex-3-en-3-yl]amino]ethanol (PubChem CID 170145428) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[[(E)-hex-3-en-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-hex-3-en-3-yl]amino]ethanol
PubChem CID170145428
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[[(E)-hex-3-en-3-yl]amino]ethanol
SMILESCC/C=C(\CC)NCCO
InChIInChI=1S/C8H17NO/c1-3-5-8(4-2)9-6-7-10/h5,9-10H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyXGJJQDZAHRROEM-VMPITWQZSA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-hex-3-en-3-yl]amino]ethanol?
The IUPAC name of 2-[[(E)-hex-3-en-3-yl]amino]ethanol (CID 170145428) is 2-[[(E)-hex-3-en-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[(E)-hex-3-en-3-yl]amino]ethanol?
The canonical SMILES for 2-[[(E)-hex-3-en-3-yl]amino]ethanol is CC/C=C(\CC)NCCO.
What is the InChIKey of 2-[[(E)-hex-3-en-3-yl]amino]ethanol?
The InChIKey is XGJJQDZAHRROEM-VMPITWQZSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-8(4-2)9-6-7-10/h5,9-10H,3-4,6-7H2,1-2H3/b8-5+.
What are the key properties of 2-[[(E)-hex-3-en-3-yl]amino]ethanol?
2-[[(E)-hex-3-en-3-yl]amino]ethanol has a molecular weight of 143.23 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-hex-3-en-3-yl]amino]ethanol is sourced from PubChem (CID 170145428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).