cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate

C16H40CoN4O2+3 — CID 10981759

IUPACcobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate
SMILESCC1CC(C)(C)NCCNC(C)CC(C)(C)NCCN1.O.O.[Co+3]
InChIInChI=1S/C16H36N4.Co.2H2O/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13;;;/h13-14,17-20H,7-12H2,1-6H3;;2*1H2/q;+3;;
InChIKeyJNLHSUKDLBQWFO-UHFFFAOYSA-N
MW379.46 g/mol
LogP-0.18
Rot. Bonds

About cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate

cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate (PubChem CID 10981759) has the molecular formula C16H40CoN4O2+3 and a molecular weight of 379.46 g/mol. Its IUPAC name is cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate.

Molecular Properties

Compound Namecobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate
PubChem CID10981759
Molecular FormulaC16H40CoN4O2+3
Molecular Weight379.46 g/mol
Exact Mass379.25
IUPAC Namecobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate
SMILESCC1CC(C)(C)NCCNC(C)CC(C)(C)NCCN1.O.O.[Co+3]
InChIInChI=1S/C16H36N4.Co.2H2O/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13;;;/h13-14,17-20H,7-12H2,1-6H3;;2*1H2/q;+3;;
InChIKeyJNLHSUKDLBQWFO-UHFFFAOYSA-N
XLogP-0.18
TPSA111.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate with MolForge

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Related Compounds

trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
CID 7154578
7-iodo-5,5-dimethyl-1,4-diazepane
CID 144511430
copper;cis-(7S,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;bis(2-sulfanylidene-2-sulfido-1,3,2λ5-benzodioxaphosphole)
CID 139080243
(2S,7R,9R,14R)-2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetrazacyclotetradecane
CID 139079648
cyanoiminomethylideneazanide;dicyanoazanide;N,N-dimethylformamide;bis(nickel(2+));bis(trans-(7S,14S)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane);perchlorate
CID 139149736
9-methyl-8-azaspiro[4.5]decane
CID 118001586
(2S)-2,5,5-trimethyl-1,4-diazepane
CID 172679311
(8S)-5,5,7,8-tetramethyl-1,4-thiazocane
CID 142372486
2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane
CID 145242282
3-[(7S,14S)-8-(2-cyanoethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile
CID 139162648
(6S)-6-methyl-2-thia-7-azaspiro[3.4]octane
CID 155425689
ethane;propane;2,4,4-trimethylpyrrolidine
CID 144594134

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate?
The IUPAC name of cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate (CID 10981759) is cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate.
What is the SMILES notation for cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate?
The canonical SMILES for cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate is CC1CC(C)(C)NCCNC(C)CC(C)(C)NCCN1.O.O.[Co+3].
What is the InChIKey of cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate?
The InChIKey is JNLHSUKDLBQWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4.Co.2H2O/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13;;;/h13-14,17-20H,7-12H2,1-6H3;;2*1H2/q;+3;;.
What are the key properties of cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate?
cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate has a molecular weight of 379.46 g/mol, XLogP of -0.18, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate is sourced from PubChem (CID 10981759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).