N,N-dimethylmethanamine;octadecylphosphane;hydrate

C21H50NOP — CID 174723462

IUPACN,N-dimethylmethanamine;octadecylphosphane;hydrate
SMILESCCCCCCCCCCCCCCCCCCP.CN(C)C.O
InChIInChI=1S/C18H39P.C3H9N.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3;/h2-19H2,1H3;1-3H3;1H2
InChIKeyDHZRHPHXGKCMEF-UHFFFAOYSA-N
MW363.61 g/mol
LogP6.48
Rot. Bonds16

About N,N-dimethylmethanamine;octadecylphosphane;hydrate

N,N-dimethylmethanamine;octadecylphosphane;hydrate (PubChem CID 174723462) has the molecular formula C21H50NOP and a molecular weight of 363.61 g/mol. Its IUPAC name is N,N-dimethylmethanamine;octadecylphosphane;hydrate.

Molecular Properties

Compound NameN,N-dimethylmethanamine;octadecylphosphane;hydrate
PubChem CID174723462
Molecular FormulaC21H50NOP
Molecular Weight363.61 g/mol
Exact Mass363.36
IUPAC NameN,N-dimethylmethanamine;octadecylphosphane;hydrate
SMILESCCCCCCCCCCCCCCCCCCP.CN(C)C.O
InChIInChI=1S/C18H39P.C3H9N.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3;/h2-19H2,1H3;1-3H3;1H2
InChIKeyDHZRHPHXGKCMEF-UHFFFAOYSA-N
XLogP6.48
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.61
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

decylphosphane;hydrate
CID 175258156
nonylphosphane;hydrobromide
CID 173198265
tetradecylphosphane;hydrochloride
CID 173055472
ruthenium;tridecylphosphane
CID 159569065
CID 158135492
CID 158135492
N,N-dimethylmethanamine;tridecane
CID 174432259
bis(N,N-dimethylmethanamine);undecane;dihydrobromide
CID 174667989
octylphosphane;tetramethylphosphanium;bromide
CID 174836712
heptan-1-ol;heptylphosphane
CID 88830692
azane;N,N-dimethylmethanamine;octacosane;hydrochloride
CID 174624650
N,N-dimethylmethanamine;ethane;hexane
CID 143103490
mercury;nonane
CID 174664970

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;octadecylphosphane;hydrate?
The IUPAC name of N,N-dimethylmethanamine;octadecylphosphane;hydrate (CID 174723462) is N,N-dimethylmethanamine;octadecylphosphane;hydrate.
What is the SMILES notation for N,N-dimethylmethanamine;octadecylphosphane;hydrate?
The canonical SMILES for N,N-dimethylmethanamine;octadecylphosphane;hydrate is CCCCCCCCCCCCCCCCCCP.CN(C)C.O.
What is the InChIKey of N,N-dimethylmethanamine;octadecylphosphane;hydrate?
The InChIKey is DHZRHPHXGKCMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39P.C3H9N.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3;/h2-19H2,1H3;1-3H3;1H2.
What are the key properties of N,N-dimethylmethanamine;octadecylphosphane;hydrate?
N,N-dimethylmethanamine;octadecylphosphane;hydrate has a molecular weight of 363.61 g/mol, XLogP of 6.48, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;octadecylphosphane;hydrate is sourced from PubChem (CID 174723462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).