dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane

C14H30Cl2MnN4 — CID 22969681

IUPACdichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
SMILESCN1CCCN2CCN(C)CCCN(CC1)CC2.Cl[Mn]Cl
InChIInChI=1S/C14H30N4.2ClH.Mn/c1-15-5-3-7-18-12-10-16(2)6-4-8-17(11-9-15)13-14-18;;;/h3-14H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyZXYCROYRJRYNDV-UHFFFAOYSA-L
MW380.27 g/mol
LogP1.64
Rot. Bonds

About dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane

dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane (PubChem CID 22969681) has the molecular formula C14H30Cl2MnN4 and a molecular weight of 380.27 g/mol. Its IUPAC name is dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane.

Molecular Properties

Compound Namedichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
PubChem CID22969681
Molecular FormulaC14H30Cl2MnN4
Molecular Weight380.27 g/mol
Exact Mass379.12
IUPAC Namedichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
SMILESCN1CCCN2CCN(C)CCCN(CC1)CC2.Cl[Mn]Cl
InChIInChI=1S/C14H30N4.2ClH.Mn/c1-15-5-3-7-18-12-10-16(2)6-4-8-17(11-9-15)13-14-18;;;/h3-14H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyZXYCROYRJRYNDV-UHFFFAOYSA-L
XLogP1.64
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate
CID 59094858
4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane
CID 59108275
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese(2+);ditetrafluoroborate;dihydrate
CID 12011743
4-benzyl-11-methyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 12011735
4-methyl-11-octyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 12011737
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate
CID 71676779
1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane
CID 157314435

Frequently Asked Questions

What is the IUPAC name of dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane?
The IUPAC name of dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane (CID 22969681) is dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane.
What is the SMILES notation for dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane?
The canonical SMILES for dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane is CN1CCCN2CCN(C)CCCN(CC1)CC2.Cl[Mn]Cl.
What is the InChIKey of dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane?
The InChIKey is ZXYCROYRJRYNDV-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H30N4.2ClH.Mn/c1-15-5-3-7-18-12-10-16(2)6-4-8-17(11-9-15)13-14-18;;;/h3-14H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane?
dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane has a molecular weight of 380.27 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane is sourced from PubChem (CID 22969681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).