N,N-dimethylmethanamine;dodecyl dihydrogen phosphate

C15H36NO4P — CID 175346485

IUPACN,N-dimethylmethanamine;dodecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCOP(=O)(O)O.CN(C)C
InChIInChI=1S/C12H27O4P.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-4(2)3/h2-12H2,1H3,(H2,13,14,15);1-3H3
InChIKeyZLDNRDBSMJCQIL-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.19
Rot. Bonds12

About N,N-dimethylmethanamine;dodecyl dihydrogen phosphate

N,N-dimethylmethanamine;dodecyl dihydrogen phosphate (PubChem CID 175346485) has the molecular formula C15H36NO4P and a molecular weight of 325.43 g/mol. Its IUPAC name is N,N-dimethylmethanamine;dodecyl dihydrogen phosphate.

Molecular Properties

Compound NameN,N-dimethylmethanamine;dodecyl dihydrogen phosphate
PubChem CID175346485
Molecular FormulaC15H36NO4P
Molecular Weight325.43 g/mol
Exact Mass325.24
IUPAC NameN,N-dimethylmethanamine;dodecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCOP(=O)(O)O.CN(C)C
InChIInChI=1S/C12H27O4P.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-4(2)3/h2-12H2,1H3,(H2,13,14,15);1-3H3
InChIKeyZLDNRDBSMJCQIL-UHFFFAOYSA-N
XLogP4.19
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
azane;octadecyl dihydrogen phosphate
CID 87905459
dodecyl dihydrogen phosphate;indigane
CID 173026750
CID 170842594
CID 170842594
CID 170843971
CID 170843971
alumane;tridecyl dihydrogen phosphate
CID 173322009
ethanol;hexadecyl dihydrogen phosphate
CID 174523308

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;dodecyl dihydrogen phosphate?
The IUPAC name of N,N-dimethylmethanamine;dodecyl dihydrogen phosphate (CID 175346485) is N,N-dimethylmethanamine;dodecyl dihydrogen phosphate.
What is the SMILES notation for N,N-dimethylmethanamine;dodecyl dihydrogen phosphate?
The canonical SMILES for N,N-dimethylmethanamine;dodecyl dihydrogen phosphate is CCCCCCCCCCCCOP(=O)(O)O.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;dodecyl dihydrogen phosphate?
The InChIKey is ZLDNRDBSMJCQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O4P.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-4(2)3/h2-12H2,1H3,(H2,13,14,15);1-3H3.
What are the key properties of N,N-dimethylmethanamine;dodecyl dihydrogen phosphate?
N,N-dimethylmethanamine;dodecyl dihydrogen phosphate has a molecular weight of 325.43 g/mol, XLogP of 4.19, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;dodecyl dihydrogen phosphate is sourced from PubChem (CID 175346485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).