azane;trimethyl(2-prop-2-enoxyethyl)azanium

C8H21N2O+ — CID 87914858

IUPACazane;trimethyl(2-prop-2-enoxyethyl)azanium
SMILESC=CCOCC[N+](C)(C)C.N
InChIInChI=1S/C8H18NO.H3N/c1-5-7-10-8-6-9(2,3)4;/h5H,1,6-8H2,2-4H3;1H3/q+1;
InChIKeyNXMKYIPEAFSUBP-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.06
Rot. Bonds5

About azane;trimethyl(2-prop-2-enoxyethyl)azanium

azane;trimethyl(2-prop-2-enoxyethyl)azanium (PubChem CID 87914858) has the molecular formula C8H21N2O+ and a molecular weight of 161.27 g/mol. Its IUPAC name is azane;trimethyl(2-prop-2-enoxyethyl)azanium.

Molecular Properties

Compound Nameazane;trimethyl(2-prop-2-enoxyethyl)azanium
PubChem CID87914858
Molecular FormulaC8H21N2O+
Molecular Weight161.27 g/mol
Exact Mass161.16
IUPAC Nameazane;trimethyl(2-prop-2-enoxyethyl)azanium
SMILESC=CCOCC[N+](C)(C)C.N
InChIInChI=1S/C8H18NO.H3N/c1-5-7-10-8-6-9(2,3)4;/h5H,1,6-8H2,2-4H3;1H3/q+1;
InChIKeyNXMKYIPEAFSUBP-UHFFFAOYSA-N
XLogP1.06
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 azane;trimethyl(2-prop-2-enoxyethyl)azanium?
The IUPAC name of azane;trimethyl(2-prop-2-enoxyethyl)azanium (CID 87914858) is azane;trimethyl(2-prop-2-enoxyethyl)azanium.
What is the SMILES notation for azane;trimethyl(2-prop-2-enoxyethyl)azanium?
The canonical SMILES for azane;trimethyl(2-prop-2-enoxyethyl)azanium is C=CCOCC[N+](C)(C)C.N.
What is the InChIKey of azane;trimethyl(2-prop-2-enoxyethyl)azanium?
The InChIKey is NXMKYIPEAFSUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO.H3N/c1-5-7-10-8-6-9(2,3)4;/h5H,1,6-8H2,2-4H3;1H3/q+1;.
What are the key properties of azane;trimethyl(2-prop-2-enoxyethyl)azanium?
azane;trimethyl(2-prop-2-enoxyethyl)azanium has a molecular weight of 161.27 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trimethyl(2-prop-2-enoxyethyl)azanium is sourced from PubChem (CID 87914858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).