dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane

C12H27Cl2CoN4 — CID 139802939

IUPACdichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane
SMILESC1C[N-]CCCNCCCNCCCNC1.Cl[Co+]Cl
InChIInChI=1S/C12H27N4.2ClH.Co/c1-5-13-7-2-9-15-11-4-12-16-10-3-8-14-6-1;;;/h13-15H,1-12H2;2*1H;/q-1;;;+3/p-2
InChIKeyYLJCVRFUUYTICO-UHFFFAOYSA-L
MW357.22 g/mol
LogP2.08
Rot. Bonds

About dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane

dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane (PubChem CID 139802939) has the molecular formula C12H27Cl2CoN4 and a molecular weight of 357.22 g/mol. Its IUPAC name is dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane.

Molecular Properties

Compound Namedichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane
PubChem CID139802939
Molecular FormulaC12H27Cl2CoN4
Molecular Weight357.22 g/mol
Exact Mass356.09
IUPAC Namedichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane
SMILESC1C[N-]CCCNCCCNCCCNC1.Cl[Co+]Cl
InChIInChI=1S/C12H27N4.2ClH.Co/c1-5-13-7-2-9-15-11-4-12-16-10-3-8-14-6-1;;;/h13-15H,1-12H2;2*1H;/q-1;;;+3/p-2
InChIKeyYLJCVRFUUYTICO-UHFFFAOYSA-L
XLogP2.08
TPSA50.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride
CID 22113549
carbanide;1,5-diaza-9-azanidacyclododecane;titanium(3+);trihydrochloride
CID 173283467
carbanide;titanium;1,5,9-triaza-13-azanidacyclohexadecane;trihydrochloride
CID 173282643
1-aza-5-azanidacyclooctane;carbanide;titanium(3+);trihydrochloride
CID 173283458
carbanide;1,5-diaza-9-azanidacyclododecane;ethanone;titanium(4+);trihydrochloride
CID 173283352
1,5,9,14,18,22-hexazacyclohexacosane;hexahydrochloride
CID 71676783
1,4-diazepane;dihydrochloride
CID 23441047
1,5,9,13,17-pentazacycloicosane
CID 20533697
1,4,7,10-tetrazacyclotridecane
CID 11478723
1,4,8,12-tetrazacyclopentadecane;1,4,8,11-tetrazacyclotetradecane;1,4,7,10-tetrazacyclotridecane
CID 23302195
1,5,9-triazacyclododecane;hydrobromide
CID 45051876
1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane
CID 159801771

Frequently Asked Questions

What is the IUPAC name of dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane?
The IUPAC name of dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane (CID 139802939) is dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane.
What is the SMILES notation for dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane?
The canonical SMILES for dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane is C1C[N-]CCCNCCCNCCCNC1.Cl[Co+]Cl.
What is the InChIKey of dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane?
The InChIKey is YLJCVRFUUYTICO-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H27N4.2ClH.Co/c1-5-13-7-2-9-15-11-4-12-16-10-3-8-14-6-1;;;/h13-15H,1-12H2;2*1H;/q-1;;;+3/p-2.
What are the key properties of dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane?
dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane has a molecular weight of 357.22 g/mol, XLogP of 2.08, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocobalt(1+);1,5,9-triaza-13-azanidacyclohexadecane is sourced from PubChem (CID 139802939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).