1-dimethylphosphorylpropan-1-amine;hydrobromide

C5H15BrNOP — CID 159377336

IUPAC1-dimethylphosphorylpropan-1-amine;hydrobromide
SMILESBr.CCC(N)P(C)(C)=O
InChIInChI=1S/C5H14NOP.BrH/c1-4-5(6)8(2,3)7;/h5H,4,6H2,1-3H3;1H
InChIKeyHHQUMPKQBRFTSS-UHFFFAOYSA-N
MW216.06 g/mol
LogP1.88
Rot. Bonds2

About 1-dimethylphosphorylpropan-1-amine;hydrobromide

1-dimethylphosphorylpropan-1-amine;hydrobromide (PubChem CID 159377336) has the molecular formula C5H15BrNOP and a molecular weight of 216.06 g/mol. Its IUPAC name is 1-dimethylphosphorylpropan-1-amine;hydrobromide.

Molecular Properties

Compound Name1-dimethylphosphorylpropan-1-amine;hydrobromide
PubChem CID159377336
Molecular FormulaC5H15BrNOP
Molecular Weight216.06 g/mol
Exact Mass215.01
IUPAC Name1-dimethylphosphorylpropan-1-amine;hydrobromide
SMILESBr.CCC(N)P(C)(C)=O
InChIInChI=1S/C5H14NOP.BrH/c1-4-5(6)8(2,3)7;/h5H,4,6H2,1-3H3;1H
InChIKeyHHQUMPKQBRFTSS-UHFFFAOYSA-N
XLogP1.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.06
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
1-aminopropyl(propoxy)phosphinic acid;butane
CID 88813664
bis(dimethylphosphoryl)methanamine
CID 23398083
1-aminopropan-1-ol;butane;phosphoric acid
CID 87838613
[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
CID 15348708
ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide
CID 175282651
1-dimethylphosphorylpropan-1-ol
CID 59649408
[2-amino-1-[hydroxy(methyl)phosphoryl]pentan-3-yl]-trimethylazanium
CID 89457971
bis(butan-2-yl(ethyl)phosphinic acid);iron
CID 157342521
2-ethylbutylphosphonamidic acid
CID 22717998
2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid
CID 78066634
1-hydroxypropylphosphonic acid
CID 12625401

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphorylpropan-1-amine;hydrobromide?
The IUPAC name of 1-dimethylphosphorylpropan-1-amine;hydrobromide (CID 159377336) is 1-dimethylphosphorylpropan-1-amine;hydrobromide.
What is the SMILES notation for 1-dimethylphosphorylpropan-1-amine;hydrobromide?
The canonical SMILES for 1-dimethylphosphorylpropan-1-amine;hydrobromide is Br.CCC(N)P(C)(C)=O.
What is the InChIKey of 1-dimethylphosphorylpropan-1-amine;hydrobromide?
The InChIKey is HHQUMPKQBRFTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NOP.BrH/c1-4-5(6)8(2,3)7;/h5H,4,6H2,1-3H3;1H.
What are the key properties of 1-dimethylphosphorylpropan-1-amine;hydrobromide?
1-dimethylphosphorylpropan-1-amine;hydrobromide has a molecular weight of 216.06 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphorylpropan-1-amine;hydrobromide is sourced from PubChem (CID 159377336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).