[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium

C13H28N2 — CID 16656341

IUPAC[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium
SMILESCC(C)N([C-]=[N+](C(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H28N2/c1-10(2)14(11(3)4)9-15(12(5)6)13(7)8/h10-13H,1-8H3
InChIKeyOQXDZGXBWWHDJD-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.84
Rot. Bonds5

About [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium

[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium (PubChem CID 16656341) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium.

Molecular Properties

Compound Name[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium
PubChem CID16656341
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium
SMILESCC(C)N([C-]=[N+](C(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H28N2/c1-10(2)14(11(3)4)9-15(12(5)6)13(7)8/h10-13H,1-8H3
InChIKeyOQXDZGXBWWHDJD-UHFFFAOYSA-N
XLogP2.84
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium?
The IUPAC name of [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium (CID 16656341) is [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium.
What is the SMILES notation for [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium?
The canonical SMILES for [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium is CC(C)N([C-]=[N+](C(C)C)C(C)C)C(C)C.
What is the InChIKey of [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium?
The InChIKey is OQXDZGXBWWHDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)14(11(3)4)9-15(12(5)6)13(7)8/h10-13H,1-8H3.
What are the key properties of [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium?
[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium has a molecular weight of 212.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium is sourced from PubChem (CID 16656341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).