N-(dimethylphosphorylmethyl)propan-2-amine

C6H16NOP — CID 122537109

IUPACN-(dimethylphosphorylmethyl)propan-2-amine
SMILESCC(C)NCP(C)(C)=O
InChIInChI=1S/C6H16NOP/c1-6(2)7-5-9(3,4)8/h6-7H,5H2,1-4H3
InChIKeyQKXMTIBWDDENPK-UHFFFAOYSA-N
MW149.17 g/mol
LogP1.56
Rot. Bonds3

About N-(dimethylphosphorylmethyl)propan-2-amine

N-(dimethylphosphorylmethyl)propan-2-amine (PubChem CID 122537109) has the molecular formula C6H16NOP and a molecular weight of 149.17 g/mol. Its IUPAC name is N-(dimethylphosphorylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(dimethylphosphorylmethyl)propan-2-amine
PubChem CID122537109
Molecular FormulaC6H16NOP
Molecular Weight149.17 g/mol
Exact Mass149.10
IUPAC NameN-(dimethylphosphorylmethyl)propan-2-amine
SMILESCC(C)NCP(C)(C)=O
InChIInChI=1S/C6H16NOP/c1-6(2)7-5-9(3,4)8/h6-7H,5H2,1-4H3
InChIKeyQKXMTIBWDDENPK-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 51.56
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

N-methyl-2-phosphorosopropan-2-amine
CID 20668937
Ethylaminomethyl-methyl-oxophosphanium
CID 20772096
2-dimethylphosphoryl-N-methylpropan-2-amine
CID 22976169
N-(dimethylphosphorylmethyl)propan-1-amine
CID 55302300
2-(Butylamino)propan-2-yl-methyl-oxophosphanium
CID 58186867
N-methyl-1-phosphorosobutan-2-amine
CID 89408118
dimethyl(oxo)phosphanium;N-methylpropan-2-amine
CID 91045104
dimethyl(oxo)phosphanium;N,2-dimethylpropan-2-amine
CID 91438537
(Butan-2-ylamino)methyl-methyl-methylidenephosphanium
CID 91512364
[[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium
CID 146222811
3-Dimethylphosphorylbutan-2-amine
CID 156202373
Propan-2-yl-[(propan-2-ylamino)methyl]phosphinic acid
CID 156462232

Frequently Asked Questions

What is the IUPAC name of N-(dimethylphosphorylmethyl)propan-2-amine?
The IUPAC name of N-(dimethylphosphorylmethyl)propan-2-amine (CID 122537109) is N-(dimethylphosphorylmethyl)propan-2-amine.
What is the SMILES notation for N-(dimethylphosphorylmethyl)propan-2-amine?
The canonical SMILES for N-(dimethylphosphorylmethyl)propan-2-amine is CC(C)NCP(C)(C)=O.
What is the InChIKey of N-(dimethylphosphorylmethyl)propan-2-amine?
The InChIKey is QKXMTIBWDDENPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NOP/c1-6(2)7-5-9(3,4)8/h6-7H,5H2,1-4H3.
What are the key properties of N-(dimethylphosphorylmethyl)propan-2-amine?
N-(dimethylphosphorylmethyl)propan-2-amine has a molecular weight of 149.17 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylphosphorylmethyl)propan-2-amine is sourced from PubChem (CID 122537109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).