N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine

C7H18ClN2O2P — CID 118053933

IUPACN-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(COP(N)(=O)Cl)C(C)C
InChIInChI=1S/C7H18ClN2O2P/c1-6(2)10(7(3)4)5-12-13(8,9)11/h6-7H,5H2,1-4H3,(H2,9,11)
InChIKeyBBSNUSGYLNMZDL-UHFFFAOYSA-N
MW228.66 g/mol
LogP2.38
Rot. Bonds5

About N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine

N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 118053933) has the molecular formula C7H18ClN2O2P and a molecular weight of 228.66 g/mol. Its IUPAC name is N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine
PubChem CID118053933
Molecular FormulaC7H18ClN2O2P
Molecular Weight228.66 g/mol
Exact Mass228.08
IUPAC NameN-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(COP(N)(=O)Cl)C(C)C
InChIInChI=1S/C7H18ClN2O2P/c1-6(2)10(7(3)4)5-12-13(8,9)11/h6-7H,5H2,1-4H3,(H2,9,11)
InChIKeyBBSNUSGYLNMZDL-UHFFFAOYSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 175408582
N-diaminophosphoryl-N-methylpropan-2-amine
CID 56612317
N-[chloro(methoxy)phosphoryl]-N-propan-2-ylpropan-2-amine
CID 15098181
chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid
CID 19786291
N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate
CID 160528402
2-[chloro(fluoromethoxy)phosphoryl]propane
CID 88777535
N-[ethoxy(propoxy)phosphoryl]-N-methylpropan-2-amine
CID 170850998
N-butan-2-yl-N-diaminophosphorylbutan-2-amine
CID 18763985
tris[(2R)-2-chloropropyl] phosphate
CID 91865019
tris[(2R)-1-chloropropan-2-yl] phosphate
CID 91827061
N-dimethoxyphosphoryl-N-methylpropan-2-amine
CID 14339947
[(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene
CID 154300726

Frequently Asked Questions

What is the IUPAC name of N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine (CID 118053933) is N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(COP(N)(=O)Cl)C(C)C.
What is the InChIKey of N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is BBSNUSGYLNMZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18ClN2O2P/c1-6(2)10(7(3)4)5-12-13(8,9)11/h6-7H,5H2,1-4H3,(H2,9,11).
What are the key properties of N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine?
N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 228.66 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[amino(chloro)phosphoryl]oxymethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 118053933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).