1-dimethylphosphoryl-N,2-dimethylpropan-2-amine

C7H18NOP — CID 22976163

IUPAC1-dimethylphosphoryl-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)CP(C)(C)=O
InChIInChI=1S/C7H18NOP/c1-7(2,8-3)6-10(4,5)9/h8H,6H2,1-5H3
InChIKeyRSEFLVFJOGFFQX-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.61
Rot. Bonds3

About 1-dimethylphosphoryl-N,2-dimethylpropan-2-amine

1-dimethylphosphoryl-N,2-dimethylpropan-2-amine (PubChem CID 22976163) has the molecular formula C7H18NOP and a molecular weight of 163.20 g/mol. Its IUPAC name is 1-dimethylphosphoryl-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-dimethylphosphoryl-N,2-dimethylpropan-2-amine
PubChem CID22976163
Molecular FormulaC7H18NOP
Molecular Weight163.20 g/mol
Exact Mass163.11
IUPAC Name1-dimethylphosphoryl-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)CP(C)(C)=O
InChIInChI=1S/C7H18NOP/c1-7(2,8-3)6-10(4,5)9/h8H,6H2,1-5H3
InChIKeyRSEFLVFJOGFFQX-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.61
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 1-dimethylphosphoryl-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-dimethylphosphoryl-N,2-dimethylpropan-2-amine (CID 22976163) is 1-dimethylphosphoryl-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-dimethylphosphoryl-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-dimethylphosphoryl-N,2-dimethylpropan-2-amine is CNC(C)(C)CP(C)(C)=O.
What is the InChIKey of 1-dimethylphosphoryl-N,2-dimethylpropan-2-amine?
The InChIKey is RSEFLVFJOGFFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NOP/c1-7(2,8-3)6-10(4,5)9/h8H,6H2,1-5H3.
What are the key properties of 1-dimethylphosphoryl-N,2-dimethylpropan-2-amine?
1-dimethylphosphoryl-N,2-dimethylpropan-2-amine has a molecular weight of 163.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryl-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 22976163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).