2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium

C13H30CoN3O2+4 — CID 3731614

IUPAC2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium
SMILESCCN(CC)CC[N-]CCN.[Co+3].[H]/[O+]=C(/C)C=C(C)[OH2+]
InChIInChI=1S/C8H20N3.C5H8O2.Co/c1-3-11(4-2)8-7-10-6-5-9;1-4(6)3-5(2)7;/h3-9H2,1-2H3;3,6H,1-2H3;/q-1;;+3/p+2
InChIKeyWCUXVQMDCQWFGM-UHFFFAOYSA-P
MW319.33 g/mol
LogP0.84
Rot. Bonds8

About 2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium

2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium (PubChem CID 3731614) has the molecular formula C13H30CoN3O2+4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium.

Molecular Properties

Compound Name2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium
PubChem CID3731614
Molecular FormulaC13H30CoN3O2+4
Molecular Weight319.33 g/mol
Exact Mass319.16
IUPAC Name2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium
SMILESCCN(CC)CC[N-]CCN.[Co+3].[H]/[O+]=C(/C)C=C(C)[OH2+]
InChIInChI=1S/C8H20N3.C5H8O2.Co/c1-3-11(4-2)8-7-10-6-5-9;1-4(6)3-5(2)7;/h3-9H2,1-2H3;3,6H,1-2H3;/q-1;;+3/p+2
InChIKeyWCUXVQMDCQWFGM-UHFFFAOYSA-P
XLogP0.84
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis[2-(diethylamino)ethyl]azanide;vanadium
CID 147184537
lithium bis[2-(diethylamino)ethyl]azanide
CID 100962865
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
N,N-diethyl-2-prop-1-en-2-yloxyethanamine
CID 57188475
N',N'-diethylnonane-1,9-diamine
CID 22055140
N,N-diethylethanamine;hydroxylamine;methanol;hydrochloride
CID 173254877
N',N'-diethylpropane-1,3-diamine;piperazine
CID 67567532
2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride
CID 174516424
N,N-diethyl-4-methylpent-3-en-1-amine
CID 12610282
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
bis(2-aminoethyl(2-hydroxyethyl)azanide);cobalt(2+)
CID 4026477

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium?
The IUPAC name of 2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium (CID 3731614) is 2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium.
What is the SMILES notation for 2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium?
The canonical SMILES for 2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium is CCN(CC)CC[N-]CCN.[Co+3].[H]/[O+]=C(/C)C=C(C)[OH2+].
What is the InChIKey of 2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium?
The InChIKey is WCUXVQMDCQWFGM-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H20N3.C5H8O2.Co/c1-3-11(4-2)8-7-10-6-5-9;1-4(6)3-5(2)7;/h3-9H2,1-2H3;3,6H,1-2H3;/q-1;;+3/p+2.
What are the key properties of 2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium?
2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium has a molecular weight of 319.33 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium is sourced from PubChem (CID 3731614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).