[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium

C13H30FmN5O3- — CID 176987349

IUPAC[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium
SMILESNCCOCCN(CCNCCN[C-]=O)CCOCCN.[Fm]
InChIInChI=1S/C13H30N5O3.Fm/c14-1-9-20-11-7-18(8-12-21-10-2-15)6-5-16-3-4-17-13-19;/h16H,1-12,14-15H2,(H,17,19);/q-1;
InChIKeyFOSINMCXYJZXMB-UHFFFAOYSA-N
MW561.42 g/mol
LogP-2.51
Rot. Bonds17

About [2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium

[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium (PubChem CID 176987349) has the molecular formula C13H30FmN5O3- and a molecular weight of 561.42 g/mol. Its IUPAC name is [2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium.

Molecular Properties

Compound Name[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium
PubChem CID176987349
Molecular FormulaC13H30FmN5O3-
Molecular Weight561.42 g/mol
Exact Mass561.33
IUPAC Name[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium
SMILESNCCOCCN(CCNCCN[C-]=O)CCOCCN.[Fm]
InChIInChI=1S/C13H30N5O3.Fm/c14-1-9-20-11-7-18(8-12-21-10-2-15)6-5-16-3-4-17-13-19;/h16H,1-12,14-15H2,(H,17,19);/q-1;
InChIKeyFOSINMCXYJZXMB-UHFFFAOYSA-N
XLogP-2.51
TPSA114.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.42
LogP ≤ 5-2.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine
CID 176987325
N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide
CID 176987350
2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
2-[bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]amino]ethanol
CID 59518679
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 134252027
1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol
CID 20686698
methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate
CID 102046536
N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine
CID 123161317
N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 59115025

Frequently Asked Questions

What is the IUPAC name of [2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium?
The IUPAC name of [2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium (CID 176987349) is [2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium.
What is the SMILES notation for [2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium?
The canonical SMILES for [2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium is NCCOCCN(CCNCCN[C-]=O)CCOCCN.[Fm].
What is the InChIKey of [2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium?
The InChIKey is FOSINMCXYJZXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N5O3.Fm/c14-1-9-20-11-7-18(8-12-21-10-2-15)6-5-16-3-4-17-13-19;/h16H,1-12,14-15H2,(H,17,19);/q-1;.
What are the key properties of [2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium?
[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium has a molecular weight of 561.42 g/mol, XLogP of -2.51, 17 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium is sourced from PubChem (CID 176987349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).