(dimethylamino)methyl-trimethylazanium

C6H17N2+ — CID 20593148

IUPAC(dimethylamino)methyl-trimethylazanium
SMILESCN(C)C[N+](C)(C)C
InChIInChI=1S/C6H17N2/c1-7(2)6-8(3,4)5/h6H2,1-5H3/q+1
InChIKeyRUSOQYHZBAEOOX-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.21
Rot. Bonds2

About (dimethylamino)methyl-trimethylazanium

(dimethylamino)methyl-trimethylazanium (PubChem CID 20593148) has the molecular formula C6H17N2+ and a molecular weight of 117.22 g/mol. Its IUPAC name is (dimethylamino)methyl-trimethylazanium.

Molecular Properties

Compound Name(dimethylamino)methyl-trimethylazanium
PubChem CID20593148
Molecular FormulaC6H17N2+
Molecular Weight117.22 g/mol
Exact Mass117.14
IUPAC Name(dimethylamino)methyl-trimethylazanium
SMILESCN(C)C[N+](C)(C)C
InChIInChI=1S/C6H17N2/c1-7(2)6-8(3,4)5/h6H2,1-5H3/q+1
InChIKeyRUSOQYHZBAEOOX-UHFFFAOYSA-N
XLogP0.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methyl-trimethylazanium?
The IUPAC name of (dimethylamino)methyl-trimethylazanium (CID 20593148) is (dimethylamino)methyl-trimethylazanium.
What is the SMILES notation for (dimethylamino)methyl-trimethylazanium?
The canonical SMILES for (dimethylamino)methyl-trimethylazanium is CN(C)C[N+](C)(C)C.
What is the InChIKey of (dimethylamino)methyl-trimethylazanium?
The InChIKey is RUSOQYHZBAEOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2/c1-7(2)6-8(3,4)5/h6H2,1-5H3/q+1.
What are the key properties of (dimethylamino)methyl-trimethylazanium?
(dimethylamino)methyl-trimethylazanium has a molecular weight of 117.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl-trimethylazanium is sourced from PubChem (CID 20593148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).