1,1,2-tris(dimethylamino)propyl dihydrogen phosphate

C9H24N3O4P — CID 175565202

IUPAC1,1,2-tris(dimethylamino)propyl dihydrogen phosphate
SMILESCC(N(C)C)C(OP(=O)(O)O)(N(C)C)N(C)C
InChIInChI=1S/C9H24N3O4P/c1-8(10(2)3)9(11(4)5,12(6)7)16-17(13,14)15/h8H,1-7H3,(H2,13,14,15)
InChIKeyJAWRCFLHHMTLCC-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.18
Rot. Bonds6

About 1,1,2-tris(dimethylamino)propyl dihydrogen phosphate

1,1,2-tris(dimethylamino)propyl dihydrogen phosphate (PubChem CID 175565202) has the molecular formula C9H24N3O4P and a molecular weight of 269.28 g/mol. Its IUPAC name is 1,1,2-tris(dimethylamino)propyl dihydrogen phosphate.

Molecular Properties

Compound Name1,1,2-tris(dimethylamino)propyl dihydrogen phosphate
PubChem CID175565202
Molecular FormulaC9H24N3O4P
Molecular Weight269.28 g/mol
Exact Mass269.15
IUPAC Name1,1,2-tris(dimethylamino)propyl dihydrogen phosphate
SMILESCC(N(C)C)C(OP(=O)(O)O)(N(C)C)N(C)C
InChIInChI=1S/C9H24N3O4P/c1-8(10(2)3)9(11(4)5,12(6)7)16-17(13,14)15/h8H,1-7H3,(H2,13,14,15)
InChIKeyJAWRCFLHHMTLCC-UHFFFAOYSA-N
XLogP-0.18
TPSA76.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1,1,2-trichloropropyl dihydrogen phosphate
CID 3036981
(2,4-dimethyl-3-oxopentan-2-yl) dihydrogen phosphate
CID 177092698
(3-cyano-2,4-dimethylpentan-3-yl) dihydrogen phosphate
CID 87592486
N,N-dimethylmethanamine;methyl dihydrogen phosphate
CID 161217786
[hydroxy(dimethoxy)methyl] dihydrogen phosphate
CID 11851022
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
trifluoromethyl dihydrogen phosphate
CID 23129820
(1,1,2,4,5,5-hexafluoro-3-methylpentan-3-yl) dihydrogen phosphate
CID 118090901
1,1,2,2,3,3,4,4,5-nonafluorohexyl dihydrogen phosphate
CID 87764852
N,N-dimethyl-propan-2-yloxyphosphonamidic acid
CID 14117490
(3-iodo-2,2,4,4-tetramethylpentan-3-yl) dihydrogen phosphate
CID 151636564
3-(dimethylamino)-2,2-dimethylbutanoic acid
CID 115012461

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(dimethylamino)propyl dihydrogen phosphate?
The IUPAC name of 1,1,2-tris(dimethylamino)propyl dihydrogen phosphate (CID 175565202) is 1,1,2-tris(dimethylamino)propyl dihydrogen phosphate.
What is the SMILES notation for 1,1,2-tris(dimethylamino)propyl dihydrogen phosphate?
The canonical SMILES for 1,1,2-tris(dimethylamino)propyl dihydrogen phosphate is CC(N(C)C)C(OP(=O)(O)O)(N(C)C)N(C)C.
What is the InChIKey of 1,1,2-tris(dimethylamino)propyl dihydrogen phosphate?
The InChIKey is JAWRCFLHHMTLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N3O4P/c1-8(10(2)3)9(11(4)5,12(6)7)16-17(13,14)15/h8H,1-7H3,(H2,13,14,15).
What are the key properties of 1,1,2-tris(dimethylamino)propyl dihydrogen phosphate?
1,1,2-tris(dimethylamino)propyl dihydrogen phosphate has a molecular weight of 269.28 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(dimethylamino)propyl dihydrogen phosphate is sourced from PubChem (CID 175565202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).