N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine

C50H110N7O3P — CID 46183974

IUPACN'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCCOP(=O)(NCCNCCNCCNCCNCCNCCN)OCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H110N7O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49-59-61(58,57-48-47-56-46-45-55-44-43-54-42-41-53-40-39-52-38-37-51)60-50-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h52-56H,3-51H2,1-2H3,(H,57,58)
InChIKeyWEELHIFZBRRPFF-UHFFFAOYSA-N
MW888.45 g/mol
LogP11.93
Rot. Bonds56

About N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 46183974) has the molecular formula C50H110N7O3P and a molecular weight of 888.45 g/mol. Its IUPAC name is N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID46183974
Molecular FormulaC50H110N7O3P
Molecular Weight888.45 g/mol
Exact Mass887.84
IUPAC NameN'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCCOP(=O)(NCCNCCNCCNCCNCCNCCN)OCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H110N7O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49-59-61(58,57-48-47-56-46-45-55-44-43-54-42-41-53-40-39-52-38-37-51)60-50-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h52-56H,3-51H2,1-2H3,(H,57,58)
InChIKeyWEELHIFZBRRPFF-UHFFFAOYSA-N
XLogP11.93
TPSA133.73 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds56
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500888.45
LogP ≤ 511.93
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[bis(hexadecylperoxy)phosphorylamino]ethyl]ethane-1,2-diamine
CID 46186754
N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine
CID 169075508
(Z)-N-didodecoxyphosphoryloctadec-9-en-1-amine
CID 5383989
N-diethoxyphosphorylhexadecan-1-amine
CID 22003017
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
CID 87602895
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine
CID 151189278
2-[bis[(E)-octadec-9-enoxy]phosphorylamino]ethyl-trimethylarsanium iodide
CID 10485818
N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine
CID 19708261
N'-henicosylethane-1,2-diamine
CID 22930907
N'-docosylethane-1,2-diamine
CID 18783196
N'-[(Z)-octadec-9-enyl]propane-1,3-diamine;tridecyl dihydrogen phosphate
CID 88777147

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine (CID 46183974) is N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine is CCCCCCCCCCCCCCCCCCCOP(=O)(NCCNCCNCCNCCNCCNCCN)OCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is WEELHIFZBRRPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H110N7O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49-59-61(58,57-48-47-56-46-45-55-44-43-54-42-41-53-40-39-52-38-37-51)60-50-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h52-56H,3-51H2,1-2H3,(H,57,58).
What are the key properties of N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 888.45 g/mol, XLogP of 11.93, 56 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 46183974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).