cobalt;2-N,3-N-dibutoxybutane-2,3-diimine

C12H24CoN2O2 — CID 174757879

IUPACcobalt;2-N,3-N-dibutoxybutane-2,3-diimine
SMILESCCCCO/N=C(C)/C(C)=N/OCCCC.[Co]
InChIInChI=1S/C12H24N2O2.Co/c1-5-7-9-15-13-11(3)12(4)14-16-10-8-6-2;/h5-10H2,1-4H3;/b13-11+,14-12+;
InChIKeyPVZWHEWVIOJYIK-JZOPPWQGSA-N
MW287.27 g/mol
LogP3.37
Rot. Bonds9

About cobalt;2-N,3-N-dibutoxybutane-2,3-diimine

cobalt;2-N,3-N-dibutoxybutane-2,3-diimine (PubChem CID 174757879) has the molecular formula C12H24CoN2O2 and a molecular weight of 287.27 g/mol. Its IUPAC name is cobalt;2-N,3-N-dibutoxybutane-2,3-diimine.

Molecular Properties

Compound Namecobalt;2-N,3-N-dibutoxybutane-2,3-diimine
PubChem CID174757879
Molecular FormulaC12H24CoN2O2
Molecular Weight287.27 g/mol
Exact Mass287.12
IUPAC Namecobalt;2-N,3-N-dibutoxybutane-2,3-diimine
SMILESCCCCO/N=C(C)/C(C)=N/OCCCC.[Co]
InChIInChI=1S/C12H24N2O2.Co/c1-5-7-9-15-13-11(3)12(4)14-16-10-8-6-2;/h5-10H2,1-4H3;/b13-11+,14-12+;
InChIKeyPVZWHEWVIOJYIK-JZOPPWQGSA-N
XLogP3.37
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hexoxypropan-2-imine;N-pentoxypropan-2-imine
CID 91028134
2-decoxyguanidine
CID 154161085
2-dodecoxyguanidine
CID 158305776
(Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
CID 172919709
2-nonoxyimino-1-phenylpropan-1-one
CID 150656295
(E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine
CID 163402876
N-(N'-butoxycarbamimidoyl)formamide
CID 135985100
(E)-N-pentoxypentan-1-imine
CID 18714719
butyl nitrite;propyl nitrite
CID 88771471
methyl 2-butoxyimino-4-chloro-3-oxobutanoate
CID 54532629
(E)-3,3-dimethyl-N-propoxybutan-2-imine
CID 88538853
1-butylperoxybutane;hydrogen peroxide
CID 162033267

Frequently Asked Questions

What is the IUPAC name of cobalt;2-N,3-N-dibutoxybutane-2,3-diimine?
The IUPAC name of cobalt;2-N,3-N-dibutoxybutane-2,3-diimine (CID 174757879) is cobalt;2-N,3-N-dibutoxybutane-2,3-diimine.
What is the SMILES notation for cobalt;2-N,3-N-dibutoxybutane-2,3-diimine?
The canonical SMILES for cobalt;2-N,3-N-dibutoxybutane-2,3-diimine is CCCCO/N=C(C)/C(C)=N/OCCCC.[Co].
What is the InChIKey of cobalt;2-N,3-N-dibutoxybutane-2,3-diimine?
The InChIKey is PVZWHEWVIOJYIK-JZOPPWQGSA-N. The full InChI is InChI=1S/C12H24N2O2.Co/c1-5-7-9-15-13-11(3)12(4)14-16-10-8-6-2;/h5-10H2,1-4H3;/b13-11+,14-12+;.
What are the key properties of cobalt;2-N,3-N-dibutoxybutane-2,3-diimine?
cobalt;2-N,3-N-dibutoxybutane-2,3-diimine has a molecular weight of 287.27 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-N,3-N-dibutoxybutane-2,3-diimine is sourced from PubChem (CID 174757879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).