1-(2-prop-2-enylpent-4-enylamino)ethanol

C10H19NO — CID 87438840

IUPAC1-(2-prop-2-enylpent-4-enylamino)ethanol
SMILESC=CCC(CC=C)CNC(C)O
InChIInChI=1S/C10H19NO/c1-4-6-10(7-5-2)8-11-9(3)12/h4-5,9-12H,1-2,6-8H2,3H3
InChIKeyNMKPMIDWSBGYIY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.68
Rot. Bonds7

About 1-(2-prop-2-enylpent-4-enylamino)ethanol

1-(2-prop-2-enylpent-4-enylamino)ethanol (PubChem CID 87438840) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2-prop-2-enylpent-4-enylamino)ethanol.

Molecular Properties

Compound Name1-(2-prop-2-enylpent-4-enylamino)ethanol
PubChem CID87438840
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2-prop-2-enylpent-4-enylamino)ethanol
SMILESC=CCC(CC=C)CNC(C)O
InChIInChI=1S/C10H19NO/c1-4-6-10(7-5-2)8-11-9(3)12/h4-5,9-12H,1-2,6-8H2,3H3
InChIKeyNMKPMIDWSBGYIY-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enylpent-4-enylamino)ethanol?
The IUPAC name of 1-(2-prop-2-enylpent-4-enylamino)ethanol (CID 87438840) is 1-(2-prop-2-enylpent-4-enylamino)ethanol.
What is the SMILES notation for 1-(2-prop-2-enylpent-4-enylamino)ethanol?
The canonical SMILES for 1-(2-prop-2-enylpent-4-enylamino)ethanol is C=CCC(CC=C)CNC(C)O.
What is the InChIKey of 1-(2-prop-2-enylpent-4-enylamino)ethanol?
The InChIKey is NMKPMIDWSBGYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-10(7-5-2)8-11-9(3)12/h4-5,9-12H,1-2,6-8H2,3H3.
What are the key properties of 1-(2-prop-2-enylpent-4-enylamino)ethanol?
1-(2-prop-2-enylpent-4-enylamino)ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylpent-4-enylamino)ethanol is sourced from PubChem (CID 87438840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).