N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine

C25H55N2O3P — CID 169075508

IUPACN-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine
SMILESCCCCCCCCCCOP(=O)(NCCCN(C)C)OCCCCCCCCCC
InChIInChI=1S/C25H55N2O3P/c1-5-7-9-11-13-15-17-19-24-29-31(28,26-22-21-23-27(3)4)30-25-20-18-16-14-12-10-8-6-2/h5-25H2,1-4H3,(H,26,28)
InChIKeyLBWPFXWBKIOUIK-UHFFFAOYSA-N
MW462.70 g/mol
LogP7.95
Rot. Bonds25

About N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine

N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 169075508) has the molecular formula C25H55N2O3P and a molecular weight of 462.70 g/mol. Its IUPAC name is N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine
PubChem CID169075508
Molecular FormulaC25H55N2O3P
Molecular Weight462.70 g/mol
Exact Mass462.40
IUPAC NameN-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine
SMILESCCCCCCCCCCOP(=O)(NCCCN(C)C)OCCCCCCCCCC
InChIInChI=1S/C25H55N2O3P/c1-5-7-9-11-13-15-17-19-24-29-31(28,26-22-21-23-27(3)4)30-25-20-18-16-14-12-10-8-6-2/h5-25H2,1-4H3,(H,26,28)
InChIKeyLBWPFXWBKIOUIK-UHFFFAOYSA-N
XLogP7.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.70
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

heptadecan-9-yl 8-[[3-(dimethylamino)propylamino]-(8-heptadecan-9-yloxy-8-oxooctoxy)phosphoryl]oxyoctanoate
CID 166006076
3-[18-[[2-(dimethylamino)ethylamino]-[9-(3-hydroxypropylsulfanyl)octadecoxy]phosphoryl]oxyoctadecan-9-ylsulfanyl]propan-1-ol
CID 126737832
3-[1-[[2-(dimethylamino)ethylamino]-[9-(3-hydroxypropylsulfanyl)octadecoxy]phosphoryl]oxyoctadecan-9-ylsulfanyl]propan-1-ol
CID 126737830
(Z)-N-didodecoxyphosphoryloctadec-9-en-1-amine
CID 5383989
N-diethoxyphosphorylhexadecan-1-amine
CID 22003017
N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 46183974
2-(dimethylamino)ethyl ditetradecyl phosphate
CID 170237074
N-di(tetradecoxy)phosphoryl-2-(1,3-thiazol-3-ium-3-yl)ethanamine
CID 10101449
1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine
CID 151189278
2-[bis[(E)-octadec-9-enoxy]phosphorylamino]ethyl-trimethylarsanium iodide
CID 10485818
N-dimethoxyphosphoryldodecan-1-amine
CID 54307862
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226

Frequently Asked Questions

What is the IUPAC name of N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine (CID 169075508) is N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine is CCCCCCCCCCOP(=O)(NCCCN(C)C)OCCCCCCCCCC.
What is the InChIKey of N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is LBWPFXWBKIOUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H55N2O3P/c1-5-7-9-11-13-15-17-19-24-29-31(28,26-22-21-23-27(3)4)30-25-20-18-16-14-12-10-8-6-2/h5-25H2,1-4H3,(H,26,28).
What are the key properties of N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine?
N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 462.70 g/mol, XLogP of 7.95, 25 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 169075508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).