trimethyl(1-prop-2-enoxypropyl)azanium

C9H20NO+ — CID 87064813

IUPACtrimethyl(1-prop-2-enoxypropyl)azanium
SMILESC=CCOC(CC)[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-6-8-11-9(7-2)10(3,4)5/h6,9H,1,7-8H2,2-5H3/q+1
InChIKeyDIGPGMQTMDBIFB-UHFFFAOYSA-N
MW158.26 g/mol
LogP1.63
Rot. Bonds5

About trimethyl(1-prop-2-enoxypropyl)azanium

trimethyl(1-prop-2-enoxypropyl)azanium (PubChem CID 87064813) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is trimethyl(1-prop-2-enoxypropyl)azanium.

Molecular Properties

Compound Nametrimethyl(1-prop-2-enoxypropyl)azanium
PubChem CID87064813
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Nametrimethyl(1-prop-2-enoxypropyl)azanium
SMILESC=CCOC(CC)[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-6-8-11-9(7-2)10(3,4)5/h6,9H,1,7-8H2,2-5H3/q+1
InChIKeyDIGPGMQTMDBIFB-UHFFFAOYSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 trimethyl(1-prop-2-enoxypropyl)azanium?
The IUPAC name of trimethyl(1-prop-2-enoxypropyl)azanium (CID 87064813) is trimethyl(1-prop-2-enoxypropyl)azanium.
What is the SMILES notation for trimethyl(1-prop-2-enoxypropyl)azanium?
The canonical SMILES for trimethyl(1-prop-2-enoxypropyl)azanium is C=CCOC(CC)[N+](C)(C)C.
What is the InChIKey of trimethyl(1-prop-2-enoxypropyl)azanium?
The InChIKey is DIGPGMQTMDBIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO/c1-6-8-11-9(7-2)10(3,4)5/h6,9H,1,7-8H2,2-5H3/q+1.
What are the key properties of trimethyl(1-prop-2-enoxypropyl)azanium?
trimethyl(1-prop-2-enoxypropyl)azanium has a molecular weight of 158.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-prop-2-enoxypropyl)azanium is sourced from PubChem (CID 87064813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).