trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium

C11H28NP+2 — CID 23261220

IUPACtrimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium
SMILESCC(C)[P+](C)(C[N+](C)(C)C)C(C)C
InChIInChI=1S/C11H28NP/c1-10(2)13(8,11(3)4)9-12(5,6)7/h10-11H,9H2,1-8H3/q+2
InChIKeyVLMJOBGHFXJABR-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.11
Rot. Bonds4

About trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium

trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium (PubChem CID 23261220) has the molecular formula C11H28NP+2 and a molecular weight of 205.33 g/mol. Its IUPAC name is trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium
PubChem CID23261220
Molecular FormulaC11H28NP+2
Molecular Weight205.33 g/mol
Exact Mass205.19
IUPAC Nametrimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium
SMILESCC(C)[P+](C)(C[N+](C)(C)C)C(C)C
InChIInChI=1S/C11H28NP/c1-10(2)13(8,11(3)4)9-12(5,6)7/h10-11H,9H2,1-8H3/q+2
InChIKeyVLMJOBGHFXJABR-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium?
The IUPAC name of trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium (CID 23261220) is trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium.
What is the SMILES notation for trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium?
The canonical SMILES for trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium is CC(C)[P+](C)(C[N+](C)(C)C)C(C)C.
What is the InChIKey of trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium?
The InChIKey is VLMJOBGHFXJABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28NP/c1-10(2)13(8,11(3)4)9-12(5,6)7/h10-11H,9H2,1-8H3/q+2.
What are the key properties of trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium?
trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium has a molecular weight of 205.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium is sourced from PubChem (CID 23261220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).