phosphanium N,N-dimethylmethanamine

C3H13NP+ — CID 162011510

IUPACphosphanium N,N-dimethylmethanamine
SMILESCN(C)C.[PH4+]
InChIInChI=1S/C3H9N.H3P/c1-4(2)3;/h1-3H3;1H3/p+1
InChIKeyYTNSNFSZEOAYRF-UHFFFAOYSA-O
MW94.12 g/mol
LogP-0.03
Rot. Bonds

About phosphanium N,N-dimethylmethanamine

phosphanium N,N-dimethylmethanamine (PubChem CID 162011510) has the molecular formula C3H13NP+ and a molecular weight of 94.12 g/mol. Its IUPAC name is phosphanium N,N-dimethylmethanamine.

Molecular Properties

Compound Namephosphanium N,N-dimethylmethanamine
PubChem CID162011510
Molecular FormulaC3H13NP+
Molecular Weight94.12 g/mol
Exact Mass94.08
IUPAC Namephosphanium N,N-dimethylmethanamine
SMILESCN(C)C.[PH4+]
InChIInChI=1S/C3H9N.H3P/c1-4(2)3;/h1-3H3;1H3/p+1
InChIKeyYTNSNFSZEOAYRF-UHFFFAOYSA-O
XLogP-0.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphanium N,N-dimethylmethanamine?
The IUPAC name of phosphanium N,N-dimethylmethanamine (CID 162011510) is phosphanium N,N-dimethylmethanamine.
What is the SMILES notation for phosphanium N,N-dimethylmethanamine?
The canonical SMILES for phosphanium N,N-dimethylmethanamine is CN(C)C.[PH4+].
What is the InChIKey of phosphanium N,N-dimethylmethanamine?
The InChIKey is YTNSNFSZEOAYRF-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9N.H3P/c1-4(2)3;/h1-3H3;1H3/p+1.
What are the key properties of phosphanium N,N-dimethylmethanamine?
phosphanium N,N-dimethylmethanamine has a molecular weight of 94.12 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanium N,N-dimethylmethanamine is sourced from PubChem (CID 162011510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).