1-Dimethoxyphosphoryl-2-methylpropan-2-amine

C6H16NO3P — CID 58928872

IUPAC1-dimethoxyphosphoryl-2-methylpropan-2-amine
SMILESCC(C)(CP(=O)(OC)OC)N
InChIInChI=1S/C6H16NO3P/c1-6(2,7)5-11(8,9-3)10-4/h5,7H2,1-4H3
InChIKeySYSLCIBTFSUKJZ-UHFFFAOYSA-N
MW181.17 g/mol
LogP-0.80
Rot. Bonds4

About 1-Dimethoxyphosphoryl-2-methylpropan-2-amine

1-Dimethoxyphosphoryl-2-methylpropan-2-amine (PubChem CID 58928872) has the molecular formula C6H16NO3P and a molecular weight of 181.17 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-Dimethoxyphosphoryl-2-methylpropan-2-amine
PubChem CID58928872
Molecular FormulaC6H16NO3P
Molecular Weight181.17 g/mol
Exact Mass181.09
IUPAC Name1-dimethoxyphosphoryl-2-methylpropan-2-amine
SMILESCC(C)(CP(=O)(OC)OC)N
InChIInChI=1S/C6H16NO3P/c1-6(2,7)5-11(8,9-3)10-4/h5,7H2,1-4H3
InChIKeySYSLCIBTFSUKJZ-UHFFFAOYSA-N
XLogP-0.80
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity161

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Trimethylaminoethylphosphonic acid
CID 58425128
t-butylaminium O-methyl phosphonate
CID 129846616
1-Diethoxyphosphoryl-2-methylbutan-2-amine
CID 11680187
N-dimethoxyphosphoryl-2-methylpropan-2-amine
CID 12631494
Methyl dihydrogen phosphate;2-methylpropan-2-amine
CID 13319000
N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine
CID 58836465
N-[ethoxy(methoxy)phosphoryl]-2-methylpropan-2-amine
CID 85633356
CID 87523846
CID 87523846
2-Methylpropan-2-amine;propan-2-ylphosphonic acid
CID 145496478
1-dimethoxyphosphoryl-N,2-dimethylpropan-2-amine
CID 167255284
cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine
CID 122388354
N-(2-dimethoxyphosphorylethynyl)-2-methylpropan-2-amine
CID 130013307

Frequently Asked Questions

What is the IUPAC name of 1-Dimethoxyphosphoryl-2-methylpropan-2-amine?
The IUPAC name of 1-Dimethoxyphosphoryl-2-methylpropan-2-amine (CID 58928872) is 1-dimethoxyphosphoryl-2-methylpropan-2-amine.
What is the SMILES notation for 1-Dimethoxyphosphoryl-2-methylpropan-2-amine?
The canonical SMILES for 1-Dimethoxyphosphoryl-2-methylpropan-2-amine is CC(C)(CP(=O)(OC)OC)N.
What is the InChIKey of 1-Dimethoxyphosphoryl-2-methylpropan-2-amine?
The InChIKey is SYSLCIBTFSUKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO3P/c1-6(2,7)5-11(8,9-3)10-4/h5,7H2,1-4H3.
What are the key properties of 1-Dimethoxyphosphoryl-2-methylpropan-2-amine?
1-Dimethoxyphosphoryl-2-methylpropan-2-amine has a molecular weight of 181.17 g/mol, XLogP of -0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Dimethoxyphosphoryl-2-methylpropan-2-amine is sourced from PubChem (CID 58928872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).