2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt

C24H44Cl2CoN2 — CID 140738520

IUPAC2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt
SMILESCC(=N\C1CCCCC1C(C)(C)C)/C(C)=N/C1CCCCC1C(C)(C)C.Cl[Co]Cl
InChIInChI=1S/C24H44N2.2ClH.Co/c1-17(25-21-15-11-9-13-19(21)23(3,4)5)18(2)26-22-16-12-10-14-20(22)24(6,7)8;;;/h19-22H,9-16H2,1-8H3;2*1H;/q;;;+2/p-2/b25-17+,26-18+;;;
InChIKeyPJOOQNDGDGCSBM-HDZVPRFUSA-L
MW490.47 g/mol
LogP8.49
Rot. Bonds3

About 2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt

2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt (PubChem CID 140738520) has the molecular formula C24H44Cl2CoN2 and a molecular weight of 490.47 g/mol. Its IUPAC name is 2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt.

Molecular Properties

Compound Name2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt
PubChem CID140738520
Molecular FormulaC24H44Cl2CoN2
Molecular Weight490.47 g/mol
Exact Mass489.22
IUPAC Name2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt
SMILESCC(=N\C1CCCCC1C(C)(C)C)/C(C)=N/C1CCCCC1C(C)(C)C.Cl[Co]Cl
InChIInChI=1S/C24H44N2.2ClH.Co/c1-17(25-21-15-11-9-13-19(21)23(3,4)5)18(2)26-22-16-12-10-14-20(22)24(6,7)8;;;/h19-22H,9-16H2,1-8H3;2*1H;/q;;;+2/p-2/b25-17+,26-18+;;;
InChIKeyPJOOQNDGDGCSBM-HDZVPRFUSA-L
XLogP8.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.47
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
2-[(2-tert-butylcyclohexyl)amino]ethanol
CID 43085233
trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 139609797
[(1S,2S)-2-tert-butylcyclohexyl]azanium
CID 7740789
1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 161041308
2-tert-butylcyclohexan-1-amine;methane
CID 158774532
1-tert-butyl-2-propan-2-ylcyclohexane
CID 59820112
1-tert-butyl-2-cyclopentylcyclopentane
CID 58689261
trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine
CID 58431838
(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251
N-[(1S,2S)-2-chlorocyclohexyl]-1,1-dimethoxymethanimine
CID 27001632

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt?
The IUPAC name of 2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt (CID 140738520) is 2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt.
What is the SMILES notation for 2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt?
The canonical SMILES for 2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt is CC(=N\C1CCCCC1C(C)(C)C)/C(C)=N/C1CCCCC1C(C)(C)C.Cl[Co]Cl.
What is the InChIKey of 2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt?
The InChIKey is PJOOQNDGDGCSBM-HDZVPRFUSA-L. The full InChI is InChI=1S/C24H44N2.2ClH.Co/c1-17(25-21-15-11-9-13-19(21)23(3,4)5)18(2)26-22-16-12-10-14-20(22)24(6,7)8;;;/h19-22H,9-16H2,1-8H3;2*1H;/q;;;+2/p-2/b25-17+,26-18+;;;.
What are the key properties of 2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt?
2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt has a molecular weight of 490.47 g/mol, XLogP of 8.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(2-tert-butylcyclohexyl)butane-2,3-diimine;dichlorocobalt is sourced from PubChem (CID 140738520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).