cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide)

C30H56CoN4O2+ — CID 5255739

IUPACcobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide)
SMILESC/C(=N\C(C)C(C)/N=C(\C)C1CCCCC1O)C1CCCCC1O.C1CC[N-]CC1.C1CC[N-]CC1.[Co+3]
InChIInChI=1S/C20H36N2O2.2C5H10N.Co/c1-13(21-15(3)17-9-5-7-11-19(17)23)14(2)22-16(4)18-10-6-8-12-20(18)24;2*1-2-4-6-5-3-1;/h13-14,17-20,23-24H,5-12H2,1-4H3;2*1-5H2;/q;2*-1;+3/b21-15+,22-16+;;;
InChIKeyPYMDEOIKPNRMQK-HESHWDSWSA-N
MW563.74 g/mol
LogP6.87
Rot. Bonds5

About cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide)

cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide) (PubChem CID 5255739) has the molecular formula C30H56CoN4O2+ and a molecular weight of 563.74 g/mol. Its IUPAC name is cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide).

Molecular Properties

Compound Namecobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide)
PubChem CID5255739
Molecular FormulaC30H56CoN4O2+
Molecular Weight563.74 g/mol
Exact Mass563.37
IUPAC Namecobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide)
SMILESC/C(=N\C(C)C(C)/N=C(\C)C1CCCCC1O)C1CCCCC1O.C1CC[N-]CC1.C1CC[N-]CC1.[Co+3]
InChIInChI=1S/C20H36N2O2.2C5H10N.Co/c1-13(21-15(3)17-9-5-7-11-19(17)23)14(2)22-16(4)18-10-6-8-12-20(18)24;2*1-2-4-6-5-3-1;/h13-14,17-20,23-24H,5-12H2,1-4H3;2*1-5H2;/q;2*-1;+3/b21-15+,22-16+;;;
InChIKeyPYMDEOIKPNRMQK-HESHWDSWSA-N
XLogP6.87
TPSA93.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide) with MolForge

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Related Compounds

2-prop-1-en-2-ylcyclododecan-1-ol
CID 141054945
dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide
CID 4867565
2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine
CID 170900098
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
cycloundecane-1,2-diol
CID 67185134
cis-(1R,2R)-2-prop-1-en-2-ylcyclopentan-1-ol
CID 12033954
2-(1-hydroxyethyl)cyclodecan-1-ol
CID 23443021
N-(1-cycloheptylethyl)but-3-en-2-imine
CID 87069900
acetic acid;copper(1+);piperidin-1-ide
CID 164670473
ethane;trans-(1R,2S)-2-(3-hydroxyprop-1-en-2-yl)cycloheptan-1-ol
CID 90793138
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
azanidacycloheptane;tungsten
CID 156681038

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide)?
The IUPAC name of cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide) (CID 5255739) is cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide).
What is the SMILES notation for cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide)?
The canonical SMILES for cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide) is C/C(=N\C(C)C(C)/N=C(\C)C1CCCCC1O)C1CCCCC1O.C1CC[N-]CC1.C1CC[N-]CC1.[Co+3].
What is the InChIKey of cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide)?
The InChIKey is PYMDEOIKPNRMQK-HESHWDSWSA-N. The full InChI is InChI=1S/C20H36N2O2.2C5H10N.Co/c1-13(21-15(3)17-9-5-7-11-19(17)23)14(2)22-16(4)18-10-6-8-12-20(18)24;2*1-2-4-6-5-3-1;/h13-14,17-20,23-24H,5-12H2,1-4H3;2*1-5H2;/q;2*-1;+3/b21-15+,22-16+;;;.
What are the key properties of cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide)?
cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide) has a molecular weight of 563.74 g/mol, XLogP of 6.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide) is sourced from PubChem (CID 5255739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).