[2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium

C11H28N3+ — CID 89473036

IUPAC[2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium
SMILESCNCC(C)(CN(C)C)C[N+](C)(C)C
InChIInChI=1S/C11H28N3/c1-11(8-12-2,9-13(3)4)10-14(5,6)7/h12H,8-10H2,1-7H3/q+1
InChIKeyQNGLPMHIZKMGGW-UHFFFAOYSA-N
MW202.37 g/mol
LogP0.48
Rot. Bonds6

About [2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium

[2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium (PubChem CID 89473036) has the molecular formula C11H28N3+ and a molecular weight of 202.37 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium
PubChem CID89473036
Molecular FormulaC11H28N3+
Molecular Weight202.37 g/mol
Exact Mass202.23
IUPAC Name[2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium
SMILESCNCC(C)(CN(C)C)C[N+](C)(C)C
InChIInChI=1S/C11H28N3/c1-11(8-12-2,9-13(3)4)10-14(5,6)7/h12H,8-10H2,1-7H3/q+1
InChIKeyQNGLPMHIZKMGGW-UHFFFAOYSA-N
XLogP0.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium?
The IUPAC name of [2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium (CID 89473036) is [2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium.
What is the SMILES notation for [2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium?
The canonical SMILES for [2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium is CNCC(C)(CN(C)C)C[N+](C)(C)C.
What is the InChIKey of [2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium?
The InChIKey is QNGLPMHIZKMGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N3/c1-11(8-12-2,9-13(3)4)10-14(5,6)7/h12H,8-10H2,1-7H3/q+1.
What are the key properties of [2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium?
[2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium has a molecular weight of 202.37 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-2-methyl-3-(methylamino)propyl]-trimethylazanium is sourced from PubChem (CID 89473036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).