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

C13H29N2+ — CID 11057444

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/C13H29N2/c1-10(2)14(11(3)4)9-15(12(5)6)13(7)8/h9-13H,1-8H3/q+1
InChIKeyZGVSCPOCGWSLNJ-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.96
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 11057444) has the molecular formula C13H29N2+ and a molecular weight of 213.39 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 CID11057444
Molecular FormulaC13H29N2+
Molecular Weight213.39 g/mol
Exact Mass213.23
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/C13H29N2/c1-10(2)14(11(3)4)9-15(12(5)6)13(7)8/h9-13H,1-8H3/q+1
InChIKeyZGVSCPOCGWSLNJ-UHFFFAOYSA-N
XLogP2.96
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 11057444) 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 ZGVSCPOCGWSLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N2/c1-10(2)14(11(3)4)9-15(12(5)6)13(7)8/h9-13H,1-8H3/q+1.
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 213.39 g/mol, XLogP of 2.96, 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 11057444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).