(tert-butylamino)methylidene-dimethylazanium

C7H17N2+ — CID 18462341

IUPAC(tert-butylamino)methylidene-dimethylazanium
SMILESC[N+](C)=CNC(C)(C)C
InChIInChI=1S/C7H16N2/c1-7(2,3)8-6-9(4)5/h6H,1-5H3/p+1
InChIKeyPHNRCFCIKPZSFS-UHFFFAOYSA-O
MW129.23 g/mol
LogP0.67
Rot. Bonds1

About (tert-butylamino)methylidene-dimethylazanium

(tert-butylamino)methylidene-dimethylazanium (PubChem CID 18462341) has the molecular formula C7H17N2+ and a molecular weight of 129.23 g/mol. Its IUPAC name is (tert-butylamino)methylidene-dimethylazanium.

Molecular Properties

Compound Name(tert-butylamino)methylidene-dimethylazanium
PubChem CID18462341
Molecular FormulaC7H17N2+
Molecular Weight129.23 g/mol
Exact Mass129.14
IUPAC Name(tert-butylamino)methylidene-dimethylazanium
SMILESC[N+](C)=CNC(C)(C)C
InChIInChI=1S/C7H16N2/c1-7(2,3)8-6-9(4)5/h6H,1-5H3/p+1
InChIKeyPHNRCFCIKPZSFS-UHFFFAOYSA-O
XLogP0.67
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
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 (tert-butylamino)methylidene-dimethylazanium?
The IUPAC name of (tert-butylamino)methylidene-dimethylazanium (CID 18462341) is (tert-butylamino)methylidene-dimethylazanium.
What is the SMILES notation for (tert-butylamino)methylidene-dimethylazanium?
The canonical SMILES for (tert-butylamino)methylidene-dimethylazanium is C[N+](C)=CNC(C)(C)C.
What is the InChIKey of (tert-butylamino)methylidene-dimethylazanium?
The InChIKey is PHNRCFCIKPZSFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2/c1-7(2,3)8-6-9(4)5/h6H,1-5H3/p+1.
What are the key properties of (tert-butylamino)methylidene-dimethylazanium?
(tert-butylamino)methylidene-dimethylazanium has a molecular weight of 129.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (tert-butylamino)methylidene-dimethylazanium is sourced from PubChem (CID 18462341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).