dimethyl(oxo)phosphanium;N-methylpropan-2-amine

C6H17NOP+ — CID 91045104

IUPACdimethyl(oxo)phosphanium;N-methylpropan-2-amine
SMILESCNC(C)C.C[P+](C)=O
InChIInChI=1S/C4H11N.C2H6OP/c1-4(2)5-3;1-4(2)3/h4-5H,1-3H3;1-2H3/q;+1
InChIKeyYGAKXQUGCNMGJI-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.69
Rot. Bonds1

About dimethyl(oxo)phosphanium;N-methylpropan-2-amine

dimethyl(oxo)phosphanium;N-methylpropan-2-amine (PubChem CID 91045104) has the molecular formula C6H17NOP+ and a molecular weight of 150.18 g/mol. Its IUPAC name is dimethyl(oxo)phosphanium;N-methylpropan-2-amine.

Molecular Properties

Compound Namedimethyl(oxo)phosphanium;N-methylpropan-2-amine
PubChem CID91045104
Molecular FormulaC6H17NOP+
Molecular Weight150.18 g/mol
Exact Mass150.10
IUPAC Namedimethyl(oxo)phosphanium;N-methylpropan-2-amine
SMILESCNC(C)C.C[P+](C)=O
InChIInChI=1S/C4H11N.C2H6OP/c1-4(2)5-3;1-4(2)3/h4-5H,1-3H3;1-2H3/q;+1
InChIKeyYGAKXQUGCNMGJI-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(oxo)phosphanium;N-methylpropan-2-amine?
The IUPAC name of dimethyl(oxo)phosphanium;N-methylpropan-2-amine (CID 91045104) is dimethyl(oxo)phosphanium;N-methylpropan-2-amine.
What is the SMILES notation for dimethyl(oxo)phosphanium;N-methylpropan-2-amine?
The canonical SMILES for dimethyl(oxo)phosphanium;N-methylpropan-2-amine is CNC(C)C.C[P+](C)=O.
What is the InChIKey of dimethyl(oxo)phosphanium;N-methylpropan-2-amine?
The InChIKey is YGAKXQUGCNMGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2H6OP/c1-4(2)5-3;1-4(2)3/h4-5H,1-3H3;1-2H3/q;+1.
What are the key properties of dimethyl(oxo)phosphanium;N-methylpropan-2-amine?
dimethyl(oxo)phosphanium;N-methylpropan-2-amine has a molecular weight of 150.18 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(oxo)phosphanium;N-methylpropan-2-amine is sourced from PubChem (CID 91045104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).