trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium

C10H26N2+2 — CID 58455734

IUPACtrimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium
SMILESCC(C[N+](C)(C)C)C[N+](C)(C)C
InChIInChI=1S/C10H26N2/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3/q+2
InChIKeyXAQPYNNPOJLQSQ-UHFFFAOYSA-N
MW174.33 g/mol
LogP1.03
Rot. Bonds4

About trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium

trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium (PubChem CID 58455734) has the molecular formula C10H26N2+2 and a molecular weight of 174.33 g/mol. Its IUPAC name is trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium
PubChem CID58455734
Molecular FormulaC10H26N2+2
Molecular Weight174.33 g/mol
Exact Mass174.21
IUPAC Nametrimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium
SMILESCC(C[N+](C)(C)C)C[N+](C)(C)C
InChIInChI=1S/C10H26N2/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3/q+2
InChIKeyXAQPYNNPOJLQSQ-UHFFFAOYSA-N
XLogP1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium?
The IUPAC name of trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium (CID 58455734) is trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium.
What is the SMILES notation for trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium?
The canonical SMILES for trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium is CC(C[N+](C)(C)C)C[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium?
The InChIKey is XAQPYNNPOJLQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N2/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3/q+2.
What are the key properties of trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium?
trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium has a molecular weight of 174.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium is sourced from PubChem (CID 58455734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).