2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid

C15H34N4O3 — CID 178182226

IUPAC2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid
SMILESCCCCCCNCCNCCNCCNCOCC(=O)O
InChIInChI=1S/C15H34N4O3/c1-2-3-4-5-6-16-7-8-17-9-10-18-11-12-19-14-22-13-15(20)21/h16-19H,2-14H2,1H3,(H,20,21)
InChIKeyFZHAYYXLERONQI-UHFFFAOYSA-N
MW318.46 g/mol
LogP-0.02
Rot. Bonds18

About 2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid

2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid (PubChem CID 178182226) has the molecular formula C15H34N4O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid
PubChem CID178182226
Molecular FormulaC15H34N4O3
Molecular Weight318.46 g/mol
Exact Mass318.26
IUPAC Name2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid
SMILESCCCCCCNCCNCCNCCNCOCC(=O)O
InChIInChI=1S/C15H34N4O3/c1-2-3-4-5-6-16-7-8-17-9-10-18-11-12-19-14-22-13-15(20)21/h16-19H,2-14H2,1H3,(H,20,21)
InChIKeyFZHAYYXLERONQI-UHFFFAOYSA-N
XLogP-0.02
TPSA94.65 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;N-hexylhexan-1-amine
CID 174995198
3-[2-(nonylamino)ethylamino]propanoic acid
CID 102117285
2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
CID 10091506
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
12-(pentylamino)dodecanoic acid
CID 57245176
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
13-(hexylamino)tridecanoic acid
CID 21488721
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
2-(ethylaminomethoxy)acetic acid
CID 59628102

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid?
The IUPAC name of 2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid (CID 178182226) is 2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid.
What is the SMILES notation for 2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid?
The canonical SMILES for 2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid is CCCCCCNCCNCCNCCNCOCC(=O)O.
What is the InChIKey of 2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid?
The InChIKey is FZHAYYXLERONQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4O3/c1-2-3-4-5-6-16-7-8-17-9-10-18-11-12-19-14-22-13-15(20)21/h16-19H,2-14H2,1H3,(H,20,21).
What are the key properties of 2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid?
2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid has a molecular weight of 318.46 g/mol, XLogP of -0.02, 18 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid is sourced from PubChem (CID 178182226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).