ethylidene-di(propan-2-yl)azanium

C8H18N+ — CID 87724782

IUPACethylidene-di(propan-2-yl)azanium
SMILESCC=[N+](C(C)C)C(C)C
InChIInChI=1S/C8H18N/c1-6-9(7(2)3)8(4)5/h6-8H,1-5H3/q+1
InChIKeyTVUSPPIFGROBSK-UHFFFAOYSA-N
MW128.24 g/mol
LogP1.91
Rot. Bonds2

About ethylidene-di(propan-2-yl)azanium

ethylidene-di(propan-2-yl)azanium (PubChem CID 87724782) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is ethylidene-di(propan-2-yl)azanium.

Molecular Properties

Compound Nameethylidene-di(propan-2-yl)azanium
PubChem CID87724782
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Nameethylidene-di(propan-2-yl)azanium
SMILESCC=[N+](C(C)C)C(C)C
InChIInChI=1S/C8H18N/c1-6-9(7(2)3)8(4)5/h6-8H,1-5H3/q+1
InChIKeyTVUSPPIFGROBSK-UHFFFAOYSA-N
XLogP1.91
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylidene-di(propan-2-yl)azanium?
The IUPAC name of ethylidene-di(propan-2-yl)azanium (CID 87724782) is ethylidene-di(propan-2-yl)azanium.
What is the SMILES notation for ethylidene-di(propan-2-yl)azanium?
The canonical SMILES for ethylidene-di(propan-2-yl)azanium is CC=[N+](C(C)C)C(C)C.
What is the InChIKey of ethylidene-di(propan-2-yl)azanium?
The InChIKey is TVUSPPIFGROBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N/c1-6-9(7(2)3)8(4)5/h6-8H,1-5H3/q+1.
What are the key properties of ethylidene-di(propan-2-yl)azanium?
ethylidene-di(propan-2-yl)azanium has a molecular weight of 128.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-di(propan-2-yl)azanium is sourced from PubChem (CID 87724782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).