6-[bis(prop-2-enyl)amino]hexyloxidanium

C12H24NO+ — CID 21058386

IUPAC6-[bis(prop-2-enyl)amino]hexyloxidanium
SMILESC=CCN(CC=C)CCCCCC[OH2+]
InChIInChI=1S/C12H23NO/c1-3-9-13(10-4-2)11-7-5-6-8-12-14/h3-4,14H,1-2,5-12H2/p+1
InChIKeyHPLIPWHUTCBKBG-UHFFFAOYSA-O
MW198.33 g/mol
LogP1.95
Rot. Bonds10

About 6-[bis(prop-2-enyl)amino]hexyloxidanium

6-[bis(prop-2-enyl)amino]hexyloxidanium (PubChem CID 21058386) has the molecular formula C12H24NO+ and a molecular weight of 198.33 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)amino]hexyloxidanium.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)amino]hexyloxidanium
PubChem CID21058386
Molecular FormulaC12H24NO+
Molecular Weight198.33 g/mol
Exact Mass198.19
IUPAC Name6-[bis(prop-2-enyl)amino]hexyloxidanium
SMILESC=CCN(CC=C)CCCCCC[OH2+]
InChIInChI=1S/C12H23NO/c1-3-9-13(10-4-2)11-7-5-6-8-12-14/h3-4,14H,1-2,5-12H2/p+1
InChIKeyHPLIPWHUTCBKBG-UHFFFAOYSA-O
XLogP1.95
TPSA26.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(prop-2-enyl)amino]hexyloxidanium?
The IUPAC name of 6-[bis(prop-2-enyl)amino]hexyloxidanium (CID 21058386) is 6-[bis(prop-2-enyl)amino]hexyloxidanium.
What is the SMILES notation for 6-[bis(prop-2-enyl)amino]hexyloxidanium?
The canonical SMILES for 6-[bis(prop-2-enyl)amino]hexyloxidanium is C=CCN(CC=C)CCCCCC[OH2+].
What is the InChIKey of 6-[bis(prop-2-enyl)amino]hexyloxidanium?
The InChIKey is HPLIPWHUTCBKBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H23NO/c1-3-9-13(10-4-2)11-7-5-6-8-12-14/h3-4,14H,1-2,5-12H2/p+1.
What are the key properties of 6-[bis(prop-2-enyl)amino]hexyloxidanium?
6-[bis(prop-2-enyl)amino]hexyloxidanium has a molecular weight of 198.33 g/mol, XLogP of 1.95, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(prop-2-enyl)amino]hexyloxidanium is sourced from PubChem (CID 21058386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).