ethyl-propan-2-yl-propan-2-ylideneazanium

C8H18N+ — CID 123146411

IUPACethyl-propan-2-yl-propan-2-ylideneazanium
SMILESCC[N+](=C(C)C)C(C)C
InChIInChI=1S/C8H18N/c1-6-9(7(2)3)8(4)5/h7H,6H2,1-5H3/q+1
InChIKeyUJDXWHFPKRVESM-UHFFFAOYSA-N
MW128.24 g/mol
LogP1.91
Rot. Bonds2

About ethyl-propan-2-yl-propan-2-ylideneazanium

ethyl-propan-2-yl-propan-2-ylideneazanium (PubChem CID 123146411) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is ethyl-propan-2-yl-propan-2-ylideneazanium.

Molecular Properties

Compound Nameethyl-propan-2-yl-propan-2-ylideneazanium
PubChem CID123146411
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Nameethyl-propan-2-yl-propan-2-ylideneazanium
SMILESCC[N+](=C(C)C)C(C)C
InChIInChI=1S/C8H18N/c1-6-9(7(2)3)8(4)5/h7H,6H2,1-5H3/q+1
InChIKeyUJDXWHFPKRVESM-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 ethyl-propan-2-yl-propan-2-ylideneazanium?
The IUPAC name of ethyl-propan-2-yl-propan-2-ylideneazanium (CID 123146411) is ethyl-propan-2-yl-propan-2-ylideneazanium.
What is the SMILES notation for ethyl-propan-2-yl-propan-2-ylideneazanium?
The canonical SMILES for ethyl-propan-2-yl-propan-2-ylideneazanium is CC[N+](=C(C)C)C(C)C.
What is the InChIKey of ethyl-propan-2-yl-propan-2-ylideneazanium?
The InChIKey is UJDXWHFPKRVESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N/c1-6-9(7(2)3)8(4)5/h7H,6H2,1-5H3/q+1.
What are the key properties of ethyl-propan-2-yl-propan-2-ylideneazanium?
ethyl-propan-2-yl-propan-2-ylideneazanium 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 ethyl-propan-2-yl-propan-2-ylideneazanium is sourced from PubChem (CID 123146411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).