(dimethylamino)methyl-methanidyl-dimethylazanium

C6H16N2 — CID 5255248

IUPAC(dimethylamino)methyl-methanidyl-dimethylazanium
SMILES[CH2-][N+](C)(C)CN(C)C
InChIInChI=1S/C6H16N2/c1-7(2)6-8(3,4)5/h3,6H2,1-2,4-5H3
InChIKeyUDDHAALZWFESBB-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.37
Rot. Bonds2

About (dimethylamino)methyl-methanidyl-dimethylazanium

(dimethylamino)methyl-methanidyl-dimethylazanium (PubChem CID 5255248) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is (dimethylamino)methyl-methanidyl-dimethylazanium.

Molecular Properties

Compound Name(dimethylamino)methyl-methanidyl-dimethylazanium
PubChem CID5255248
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name(dimethylamino)methyl-methanidyl-dimethylazanium
SMILES[CH2-][N+](C)(C)CN(C)C
InChIInChI=1S/C6H16N2/c1-7(2)6-8(3,4)5/h3,6H2,1-2,4-5H3
InChIKeyUDDHAALZWFESBB-UHFFFAOYSA-N
XLogP0.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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-methanidyl-dimethylazanium?
The IUPAC name of (dimethylamino)methyl-methanidyl-dimethylazanium (CID 5255248) is (dimethylamino)methyl-methanidyl-dimethylazanium.
What is the SMILES notation for (dimethylamino)methyl-methanidyl-dimethylazanium?
The canonical SMILES for (dimethylamino)methyl-methanidyl-dimethylazanium is [CH2-][N+](C)(C)CN(C)C.
What is the InChIKey of (dimethylamino)methyl-methanidyl-dimethylazanium?
The InChIKey is UDDHAALZWFESBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-7(2)6-8(3,4)5/h3,6H2,1-2,4-5H3.
What are the key properties of (dimethylamino)methyl-methanidyl-dimethylazanium?
(dimethylamino)methyl-methanidyl-dimethylazanium has a molecular weight of 116.21 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl-methanidyl-dimethylazanium is sourced from PubChem (CID 5255248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).