2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol

C10H21NO2 — CID 21027130

IUPAC2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol
SMILESCC(C)/C=C/CN(CCO)CCO
InChIInChI=1S/C10H21NO2/c1-10(2)4-3-5-11(6-8-12)7-9-13/h3-4,10,12-13H,5-9H2,1-2H3/b4-3+
InChIKeyFOAAWCPWEDOUCJ-ONEGZZNKSA-N
MW187.28 g/mol
LogP0.49
Rot. Bonds7

About 2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol

2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol (PubChem CID 21027130) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol
PubChem CID21027130
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol
SMILESCC(C)/C=C/CN(CCO)CCO
InChIInChI=1S/C10H21NO2/c1-10(2)4-3-5-11(6-8-12)7-9-13/h3-4,10,12-13H,5-9H2,1-2H3/b4-3+
InChIKeyFOAAWCPWEDOUCJ-ONEGZZNKSA-N
XLogP0.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 20336956
CID 20336956
CID 20828048
CID 20828048
CID 21027129
CID 21027129
CID 24764248
CID 24764248
CID 54039173
CID 54039173
CID 57018533
CID 57018533
CID 57160331
CID 57160331
CID 58223245
CID 58223245
CID 59873879
CID 59873879
CID 62022286
CID 62022286
CID 86653890
CID 86653890
CID 87090792
CID 87090792

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol (CID 21027130) is 2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol is CC(C)/C=C/CN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol?
The InChIKey is FOAAWCPWEDOUCJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2)4-3-5-11(6-8-12)7-9-13/h3-4,10,12-13H,5-9H2,1-2H3/b4-3+.
What are the key properties of 2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol?
2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol has a molecular weight of 187.28 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol is sourced from PubChem (CID 21027130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).