4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese

C12H24Cl2MnN4 — CID 158152491

IUPAC4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese
SMILESClN1CCCN2CCN(Cl)CCCN(CC1)CC2.[Mn]
InChIInChI=1S/C12H24Cl2N4.Mn/c13-17-5-1-3-15-7-8-16(10-11-17)4-2-6-18(14)12-9-15;/h1-12H2;
InChIKeyFVHADXJEYLCZCF-UHFFFAOYSA-N
MW350.20 g/mol
LogP1.31
Rot. Bonds

About 4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese

4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese (PubChem CID 158152491) has the molecular formula C12H24Cl2MnN4 and a molecular weight of 350.20 g/mol. Its IUPAC name is 4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese.

Molecular Properties

Compound Name4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese
PubChem CID158152491
Molecular FormulaC12H24Cl2MnN4
Molecular Weight350.20 g/mol
Exact Mass349.08
IUPAC Name4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese
SMILESClN1CCCN2CCN(Cl)CCCN(CC1)CC2.[Mn]
InChIInChI=1S/C12H24Cl2N4.Mn/c13-17-5-1-3-15-7-8-16(10-11-17)4-2-6-18(14)12-9-15;/h1-12H2;
InChIKeyFVHADXJEYLCZCF-UHFFFAOYSA-N
XLogP1.31
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;bis(4,10-dichloro-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane);bis(iron(2+));manganese(2+)
CID 158258576
1-chloropiperidine
CID 16540
1-chloroazonane
CID 19423003
cyclooctane;1,7-diazabicyclo[5.5.3]pentadecane;methane
CID 162186921
1,4,7,10-tetrazabicyclo[5.5.3]pentadecane
CID 15800439
dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 22969681
tris(1,4-diazabicyclo[2.2.2]octane);trihydrate
CID 139060935
copper(1+);1,4-diazabicyclo[2.2.2]octane
CID 10192600
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
1,10-diazabicyclo[8.8.3]henicosa-5,14-diyne
CID 15448490
4,5,15,16-tetrathia-1,8,12,19-tetrazatricyclo[17.3.3.38,12]octacosane
CID 101009023

Frequently Asked Questions

What is the IUPAC name of 4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese?
The IUPAC name of 4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese (CID 158152491) is 4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese.
What is the SMILES notation for 4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese?
The canonical SMILES for 4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese is ClN1CCCN2CCN(Cl)CCCN(CC1)CC2.[Mn].
What is the InChIKey of 4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese?
The InChIKey is FVHADXJEYLCZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Cl2N4.Mn/c13-17-5-1-3-15-7-8-16(10-11-17)4-2-6-18(14)12-9-15;/h1-12H2;.
What are the key properties of 4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese?
4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese has a molecular weight of 350.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese is sourced from PubChem (CID 158152491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).