cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese

C12H29Cl2MnN5 — CID 59936314

IUPACcis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese
SMILESC[C@@H]1CNC[C@H](C)NCCNCCNCCN1.Cl[Mn]Cl
InChIInChI=1S/C12H29N5.2ClH.Mn/c1-11-9-15-10-12(2)17-8-6-14-4-3-13-5-7-16-11;;;/h11-17H,3-10H2,1-2H3;2*1H;/q;;;+2/p-2/t11-,12+;;;
InChIKeyLKAQVVANFVFHGZ-JXAYLMDHSA-L
MW369.24 g/mol
LogP0.10
Rot. Bonds

About cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese

cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese (PubChem CID 59936314) has the molecular formula C12H29Cl2MnN5 and a molecular weight of 369.24 g/mol. Its IUPAC name is cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese.

Molecular Properties

Compound Namecis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese
PubChem CID59936314
Molecular FormulaC12H29Cl2MnN5
Molecular Weight369.24 g/mol
Exact Mass368.12
IUPAC Namecis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese
SMILESC[C@@H]1CNC[C@H](C)NCCNCCNCCN1.Cl[Mn]Cl
InChIInChI=1S/C12H29N5.2ClH.Mn/c1-11-9-15-10-12(2)17-8-6-14-4-3-13-5-7-16-11;;;/h11-17H,3-10H2,1-2H3;2*1H;/q;;;+2/p-2/t11-,12+;;;
InChIKeyLKAQVVANFVFHGZ-JXAYLMDHSA-L
XLogP0.10
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 50.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese?
The IUPAC name of cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese (CID 59936314) is cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese.
What is the SMILES notation for cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese?
The canonical SMILES for cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese is C[C@@H]1CNC[C@H](C)NCCNCCNCCN1.Cl[Mn]Cl.
What is the InChIKey of cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese?
The InChIKey is LKAQVVANFVFHGZ-JXAYLMDHSA-L. The full InChI is InChI=1S/C12H29N5.2ClH.Mn/c1-11-9-15-10-12(2)17-8-6-14-4-3-13-5-7-16-11;;;/h11-17H,3-10H2,1-2H3;2*1H;/q;;;+2/p-2/t11-,12+;;;.
What are the key properties of cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese?
cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese has a molecular weight of 369.24 g/mol, XLogP of 0.10, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese is sourced from PubChem (CID 59936314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).