15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane

C16H32Cl2N4 — CID 141024509

IUPAC15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
SMILESCN1CCCN2CCN(C)CCCN(CC1)C(C)(Cl)C2(C)Cl
InChIInChI=1S/C16H32Cl2N4/c1-15(17)16(2,18)22-10-6-8-19(3)11-13-21(15)9-5-7-20(4)12-14-22/h5-14H2,1-4H3
InChIKeyPYKIMVOGUZGPJV-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.17
Rot. Bonds

About 15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane

15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane (PubChem CID 141024509) has the molecular formula C16H32Cl2N4 and a molecular weight of 351.37 g/mol. Its IUPAC name is 15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane.

Molecular Properties

Compound Name15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
PubChem CID141024509
Molecular FormulaC16H32Cl2N4
Molecular Weight351.37 g/mol
Exact Mass350.20
IUPAC Name15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
SMILESCN1CCCN2CCN(C)CCCN(CC1)C(C)(Cl)C2(C)Cl
InChIInChI=1S/C16H32Cl2N4/c1-15(17)16(2,18)22-10-6-8-19(3)11-13-21(15)9-5-7-20(4)12-14-22/h5-14H2,1-4H3
InChIKeyPYKIMVOGUZGPJV-UHFFFAOYSA-N
XLogP2.17
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-methyl-4-(1-methylcycloheptyl)piperazine
CID 71065653
1-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 114994908
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
trimethyl-(4-methyl-1,4-diazepan-1-yl)azanium
CID 123818168
dichloromanganese;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 22969681
1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane
CID 157314435
copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate
CID 71676779
[5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine
CID 79958749

Frequently Asked Questions

What is the IUPAC name of 15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane?
The IUPAC name of 15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane (CID 141024509) is 15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane.
What is the SMILES notation for 15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane?
The canonical SMILES for 15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane is CN1CCCN2CCN(C)CCCN(CC1)C(C)(Cl)C2(C)Cl.
What is the InChIKey of 15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane?
The InChIKey is PYKIMVOGUZGPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32Cl2N4/c1-15(17)16(2,18)22-10-6-8-19(3)11-13-21(15)9-5-7-20(4)12-14-22/h5-14H2,1-4H3.
What are the key properties of 15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane?
15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane has a molecular weight of 351.37 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-dichloro-4,11,15,16-tetramethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane is sourced from PubChem (CID 141024509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).