2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid

C18H45N4O6P — CID 175452034

IUPAC2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid
SMILESCCCCCCN(CCCCCC)CCNCCN.NCC(=O)O.O=P(O)(O)O
InChIInChI=1S/C16H37N3.C2H5NO2.H3O4P/c1-3-5-7-9-14-19(15-10-8-6-4-2)16-13-18-12-11-17;3-1-2(4)5;1-5(2,3)4/h18H,3-17H2,1-2H3;1,3H2,(H,4,5);(H3,1,2,3,4)
InChIKeyIOYUJWADPLYGOZ-UHFFFAOYSA-N
MW444.55 g/mol
LogP1.10
Rot. Bonds16

About 2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid

2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid (PubChem CID 175452034) has the molecular formula C18H45N4O6P and a molecular weight of 444.55 g/mol. Its IUPAC name is 2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid.

Molecular Properties

Compound Name2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid
PubChem CID175452034
Molecular FormulaC18H45N4O6P
Molecular Weight444.55 g/mol
Exact Mass444.31
IUPAC Name2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid
SMILESCCCCCCN(CCCCCC)CCNCCN.NCC(=O)O.O=P(O)(O)O
InChIInChI=1S/C16H37N3.C2H5NO2.H3O4P/c1-3-5-7-9-14-19(15-10-8-6-4-2)16-13-18-12-11-17;3-1-2(4)5;1-5(2,3)4/h18H,3-17H2,1-2H3;1,3H2,(H,4,5);(H3,1,2,3,4)
InChIKeyIOYUJWADPLYGOZ-UHFFFAOYSA-N
XLogP1.10
TPSA182.37 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.55
LogP ≤ 51.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

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

N'-[2-(dioctadecylamino)ethyl]ethane-1,2-diamine
CID 19593405
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-dioctyloctan-1-amine
CID 19864694
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N'-[2-[di(nonyl)amino]ethyl]octane-1,8-diamine
CID 142498918
N'-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]ethane-1,2-diamine
CID 88548563
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;tetrakis(decane)
CID 173077422
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
tetradecan-7-yl 8-[2-(2-aminoethylamino)ethyl-hexadecylamino]octanoate
CID 170759413
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
CID 101430189
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid?
The IUPAC name of 2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid (CID 175452034) is 2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid.
What is the SMILES notation for 2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid?
The canonical SMILES for 2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid is CCCCCCN(CCCCCC)CCNCCN.NCC(=O)O.O=P(O)(O)O.
What is the InChIKey of 2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid?
The InChIKey is IOYUJWADPLYGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3.C2H5NO2.H3O4P/c1-3-5-7-9-14-19(15-10-8-6-4-2)16-13-18-12-11-17;3-1-2(4)5;1-5(2,3)4/h18H,3-17H2,1-2H3;1,3H2,(H,4,5);(H3,1,2,3,4).
What are the key properties of 2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid?
2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid has a molecular weight of 444.55 g/mol, XLogP of 1.10, 16 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;N'-[2-(dihexylamino)ethyl]ethane-1,2-diamine;phosphoric acid is sourced from PubChem (CID 175452034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).