2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid

C22H47N3O2 — CID 139906477

IUPAC2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid
SMILESCCCCC(CC)CNCCN(CCNCC(CC)CCCC)CC(=O)O
InChIInChI=1S/C22H47N3O2/c1-5-9-11-20(7-3)17-23-13-15-25(19-22(26)27)16-14-24-18-21(8-4)12-10-6-2/h20-21,23-24H,5-19H2,1-4H3,(H,26,27)
InChIKeyCKEJLHVGUFMIJC-UHFFFAOYSA-N
MW385.64 g/mol
LogP3.98
Rot. Bonds20

About 2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid

2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid (PubChem CID 139906477) has the molecular formula C22H47N3O2 and a molecular weight of 385.64 g/mol. Its IUPAC name is 2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid
PubChem CID139906477
Molecular FormulaC22H47N3O2
Molecular Weight385.64 g/mol
Exact Mass385.37
IUPAC Name2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid
SMILESCCCCC(CC)CNCCN(CCNCC(CC)CCCC)CC(=O)O
InChIInChI=1S/C22H47N3O2/c1-5-9-11-20(7-3)17-23-13-15-25(19-22(26)27)16-14-24-18-21(8-4)12-10-6-2/h20-21,23-24H,5-19H2,1-4H3,(H,26,27)
InChIKeyCKEJLHVGUFMIJC-UHFFFAOYSA-N
XLogP3.98
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.64
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl-[2-(butylamino)ethyl]amino]acetic acid
CID 102514170
2-[bis[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]acetic acid
CID 138501386
2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid
CID 114004349
N-[2-(2-ethylhexylamino)ethyl]acetamide
CID 60683101
2-ethyl-N-pentylhexan-1-amine
CID 43081963
sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride
CID 175041251
2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid
CID 143929196
2-amino-3-(2-ethylhexylamino)propanoic acid
CID 107816719
dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 87301269
octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 173007117
ethyl 4-(2-ethylhexylamino)butanoate
CID 60683102
N,2-diethylhexan-1-amine
CID 14272988

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid (CID 139906477) is 2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid is CCCCC(CC)CNCCN(CCNCC(CC)CCCC)CC(=O)O.
What is the InChIKey of 2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid?
The InChIKey is CKEJLHVGUFMIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3O2/c1-5-9-11-20(7-3)17-23-13-15-25(19-22(26)27)16-14-24-18-21(8-4)12-10-6-2/h20-21,23-24H,5-19H2,1-4H3,(H,26,27).
What are the key properties of 2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid?
2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid has a molecular weight of 385.64 g/mol, XLogP of 3.98, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 139906477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).