hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)

C54H78Mg6N12+6 — CID 139241421

IUPAChexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)
SMILESCN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/6C9H13N2.6Mg/c6*1-11(2)7-8-5-3-4-6-9(8)10;;;;;;/h6*3-6,10H,7H2,1-2H3;;;;;;/q6*-1;6*+2
InChIKeySZJZLJRKRCZJRU-UHFFFAOYSA-N
MW1041.13 g/mol
LogP12.31
Rot. Bonds12

About hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)

hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide) (PubChem CID 139241421) has the molecular formula C54H78Mg6N12+6 and a molecular weight of 1041.13 g/mol. Its IUPAC name is hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide).

Molecular Properties

Compound Namehexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)
PubChem CID139241421
Molecular FormulaC54H78Mg6N12+6
Molecular Weight1041.13 g/mol
Exact Mass1038.55
IUPAC Namehexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)
SMILESCN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/6C9H13N2.6Mg/c6*1-11(2)7-8-5-3-4-6-9(8)10;;;;;;/h6*3-6,10H,7H2,1-2H3;;;;;;/q6*-1;6*+2
InChIKeySZJZLJRKRCZJRU-UHFFFAOYSA-N
XLogP12.31
TPSA162.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.13
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248
1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
CID 14459148
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
CID 138974220
CID 138974220
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
Tris(2-((dimethylamino)methyl)phenyl)germane
CID 15772942
1-[2-[[2-[(dimethylamino)methyl]phenyl]-methylphosphanyl]phenyl]-N,N-dimethylmethanamine
CID 11050518
CID 138973114
CID 138973114
1-(2-dimethylstannylphenyl)-N,N-dimethylmethanamine
CID 14950094
1-(2-tert-butylphenyl)-N,N-dimethylmethanamine
CID 21304895
2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol
CID 174369266
1-(2-diethylgallanylphenyl)-N,N-dimethylmethanamine
CID 88509359

Frequently Asked Questions

What is the IUPAC name of hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)?
The IUPAC name of hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide) (CID 139241421) is hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide).
What is the SMILES notation for hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)?
The canonical SMILES for hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide) is CN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].CN(C)Cc1ccccc1[NH-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)?
The InChIKey is SZJZLJRKRCZJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H13N2.6Mg/c6*1-11(2)7-8-5-3-4-6-9(8)10;;;;;;/h6*3-6,10H,7H2,1-2H3;;;;;;/q6*-1;6*+2.
What are the key properties of hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)?
hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide) has a molecular weight of 1041.13 g/mol, XLogP of 12.31, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide) is sourced from PubChem (CID 139241421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).