5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol

C10H21NO2 — CID 115633478

IUPAC5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol
SMILESC=CCN(CCO)CCCCCO
InChIInChI=1S/C10H21NO2/c1-2-6-11(8-10-13)7-4-3-5-9-12/h2,12-13H,1,3-10H2
InChIKeyJNTGFVRXOSRTFV-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.63
Rot. Bonds9

About 5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol

5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol (PubChem CID 115633478) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol
PubChem CID115633478
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol
SMILESC=CCN(CCO)CCCCCO
InChIInChI=1S/C10H21NO2/c1-2-6-11(8-10-13)7-4-3-5-9-12/h2,12-13H,1,3-10H2
InChIKeyJNTGFVRXOSRTFV-UHFFFAOYSA-N
XLogP0.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol?
The IUPAC name of 5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol (CID 115633478) is 5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol?
The canonical SMILES for 5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol is C=CCN(CCO)CCCCCO.
What is the InChIKey of 5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol?
The InChIKey is JNTGFVRXOSRTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-6-11(8-10-13)7-4-3-5-9-12/h2,12-13H,1,3-10H2.
What are the key properties of 5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol?
5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(prop-2-enyl)amino]pentan-1-ol is sourced from PubChem (CID 115633478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).