di(propan-2-yl)phosphanylmethyl-trimethylazanium

C10H25NP+ — CID 12782611

IUPACdi(propan-2-yl)phosphanylmethyl-trimethylazanium
SMILESCC(C)P(C[N+](C)(C)C)C(C)C
InChIInChI=1S/C10H25NP/c1-9(2)12(10(3)4)8-11(5,6)7/h9-10H,8H2,1-7H3/q+1
InChIKeyQVSFSRXJHIKVSQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.95
Rot. Bonds4

About di(propan-2-yl)phosphanylmethyl-trimethylazanium

di(propan-2-yl)phosphanylmethyl-trimethylazanium (PubChem CID 12782611) has the molecular formula C10H25NP+ and a molecular weight of 190.29 g/mol. Its IUPAC name is di(propan-2-yl)phosphanylmethyl-trimethylazanium.

Molecular Properties

Compound Namedi(propan-2-yl)phosphanylmethyl-trimethylazanium
PubChem CID12782611
Molecular FormulaC10H25NP+
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Namedi(propan-2-yl)phosphanylmethyl-trimethylazanium
SMILESCC(C)P(C[N+](C)(C)C)C(C)C
InChIInChI=1S/C10H25NP/c1-9(2)12(10(3)4)8-11(5,6)7/h9-10H,8H2,1-7H3/q+1
InChIKeyQVSFSRXJHIKVSQ-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.95
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 di(propan-2-yl)phosphanylmethyl-trimethylazanium?
The IUPAC name of di(propan-2-yl)phosphanylmethyl-trimethylazanium (CID 12782611) is di(propan-2-yl)phosphanylmethyl-trimethylazanium.
What is the SMILES notation for di(propan-2-yl)phosphanylmethyl-trimethylazanium?
The canonical SMILES for di(propan-2-yl)phosphanylmethyl-trimethylazanium is CC(C)P(C[N+](C)(C)C)C(C)C.
What is the InChIKey of di(propan-2-yl)phosphanylmethyl-trimethylazanium?
The InChIKey is QVSFSRXJHIKVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25NP/c1-9(2)12(10(3)4)8-11(5,6)7/h9-10H,8H2,1-7H3/q+1.
What are the key properties of di(propan-2-yl)phosphanylmethyl-trimethylazanium?
di(propan-2-yl)phosphanylmethyl-trimethylazanium has a molecular weight of 190.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)phosphanylmethyl-trimethylazanium is sourced from PubChem (CID 12782611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).