ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium

C10H20NO+ — CID 21393129

IUPACethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC)(CC=C)CCO
InChIInChI=1S/C10H20NO/c1-4-7-11(6-3,8-5-2)9-10-12/h4-5,12H,1-2,6-10H2,3H3/q+1
InChIKeyQNPODEKYSDSRLP-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.19
Rot. Bonds7

About ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium

ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium (PubChem CID 21393129) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Nameethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium
PubChem CID21393129
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Nameethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC)(CC=C)CCO
InChIInChI=1S/C10H20NO/c1-4-7-11(6-3,8-5-2)9-10-12/h4-5,12H,1-2,6-10H2,3H3/q+1
InChIKeyQNPODEKYSDSRLP-UHFFFAOYSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium?
The IUPAC name of ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium (CID 21393129) is ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium.
What is the SMILES notation for ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium?
The canonical SMILES for ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium is C=CC[N+](CC)(CC=C)CCO.
What is the InChIKey of ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium?
The InChIKey is QNPODEKYSDSRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO/c1-4-7-11(6-3,8-5-2)9-10-12/h4-5,12H,1-2,6-10H2,3H3/q+1.
What are the key properties of ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium?
ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium has a molecular weight of 170.28 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-hydroxyethyl)-bis(prop-2-enyl)azanium is sourced from PubChem (CID 21393129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).