azane;2-ethyl-2-prop-2-enylmorpholine

C9H20N2O — CID 174744025

IUPACazane;2-ethyl-2-prop-2-enylmorpholine
SMILESC=CCC1(CC)CNCCO1.N
InChIInChI=1S/C9H17NO.H3N/c1-3-5-9(4-2)8-10-6-7-11-9;/h3,10H,1,4-8H2,2H3;1H3
InChIKeyZZHHHBUIAOKSSO-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.49
Rot. Bonds3

About azane;2-ethyl-2-prop-2-enylmorpholine

azane;2-ethyl-2-prop-2-enylmorpholine (PubChem CID 174744025) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is azane;2-ethyl-2-prop-2-enylmorpholine.

Molecular Properties

Compound Nameazane;2-ethyl-2-prop-2-enylmorpholine
PubChem CID174744025
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameazane;2-ethyl-2-prop-2-enylmorpholine
SMILESC=CCC1(CC)CNCCO1.N
InChIInChI=1S/C9H17NO.H3N/c1-3-5-9(4-2)8-10-6-7-11-9;/h3,10H,1,4-8H2,2H3;1H3
InChIKeyZZHHHBUIAOKSSO-UHFFFAOYSA-N
XLogP1.49
TPSA56.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;2-ethyl-2-prop-2-enylmorpholine?
The IUPAC name of azane;2-ethyl-2-prop-2-enylmorpholine (CID 174744025) is azane;2-ethyl-2-prop-2-enylmorpholine.
What is the SMILES notation for azane;2-ethyl-2-prop-2-enylmorpholine?
The canonical SMILES for azane;2-ethyl-2-prop-2-enylmorpholine is C=CCC1(CC)CNCCO1.N.
What is the InChIKey of azane;2-ethyl-2-prop-2-enylmorpholine?
The InChIKey is ZZHHHBUIAOKSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.H3N/c1-3-5-9(4-2)8-10-6-7-11-9;/h3,10H,1,4-8H2,2H3;1H3.
What are the key properties of azane;2-ethyl-2-prop-2-enylmorpholine?
azane;2-ethyl-2-prop-2-enylmorpholine has a molecular weight of 172.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-ethyl-2-prop-2-enylmorpholine is sourced from PubChem (CID 174744025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).