2-(2-hydroxyethylamino)hex-2-en-1-ol

C8H17NO2 — CID 150898012

IUPAC2-(2-hydroxyethylamino)hex-2-en-1-ol
SMILESCCCC=C(CO)NCCO
InChIInChI=1S/C8H17NO2/c1-2-3-4-8(7-11)9-5-6-10/h4,9-11H,2-3,5-7H2,1H3
InChIKeyKZKICISLBOYWPU-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.24
Rot. Bonds6

About 2-(2-hydroxyethylamino)hex-2-en-1-ol

2-(2-hydroxyethylamino)hex-2-en-1-ol (PubChem CID 150898012) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)hex-2-en-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)hex-2-en-1-ol
PubChem CID150898012
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(2-hydroxyethylamino)hex-2-en-1-ol
SMILESCCCC=C(CO)NCCO
InChIInChI=1S/C8H17NO2/c1-2-3-4-8(7-11)9-5-6-10/h4,9-11H,2-3,5-7H2,1H3
InChIKeyKZKICISLBOYWPU-UHFFFAOYSA-N
XLogP0.24
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)hex-2-en-1-ol?
The IUPAC name of 2-(2-hydroxyethylamino)hex-2-en-1-ol (CID 150898012) is 2-(2-hydroxyethylamino)hex-2-en-1-ol.
What is the SMILES notation for 2-(2-hydroxyethylamino)hex-2-en-1-ol?
The canonical SMILES for 2-(2-hydroxyethylamino)hex-2-en-1-ol is CCCC=C(CO)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)hex-2-en-1-ol?
The InChIKey is KZKICISLBOYWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-4-8(7-11)9-5-6-10/h4,9-11H,2-3,5-7H2,1H3.
What are the key properties of 2-(2-hydroxyethylamino)hex-2-en-1-ol?
2-(2-hydroxyethylamino)hex-2-en-1-ol has a molecular weight of 159.23 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)hex-2-en-1-ol is sourced from PubChem (CID 150898012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).