1,6-dimethyl-1,6,11,16-tetrazacycloicosane

C18H40N4 — CID 22113785

IUPAC1,6-dimethyl-1,6,11,16-tetrazacycloicosane
SMILESCN1CCCCNCCCCNCCCCN(C)CCCC1
InChIInChI=1S/C18H40N4/c1-21-15-7-5-13-19-11-3-4-12-20-14-6-8-16-22(2)18-10-9-17-21/h19-20H,3-18H2,1-2H3
InChIKeyYTFFCNRPEHILED-UHFFFAOYSA-N
MW312.55 g/mol
LogP2.16
Rot. Bonds

About 1,6-dimethyl-1,6,11,16-tetrazacycloicosane

1,6-dimethyl-1,6,11,16-tetrazacycloicosane (PubChem CID 22113785) has the molecular formula C18H40N4 and a molecular weight of 312.55 g/mol. Its IUPAC name is 1,6-dimethyl-1,6,11,16-tetrazacycloicosane.

Molecular Properties

Compound Name1,6-dimethyl-1,6,11,16-tetrazacycloicosane
PubChem CID22113785
Molecular FormulaC18H40N4
Molecular Weight312.55 g/mol
Exact Mass312.33
IUPAC Name1,6-dimethyl-1,6,11,16-tetrazacycloicosane
SMILESCN1CCCCNCCCCNCCCCN(C)CCCC1
InChIInChI=1S/C18H40N4/c1-21-15-7-5-13-19-11-3-4-12-20-14-6-8-16-22(2)18-10-9-17-21/h19-20H,3-18H2,1-2H3
InChIKeyYTFFCNRPEHILED-UHFFFAOYSA-N
XLogP2.16
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1,6,11,16-tetrazacycloicosane
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1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)
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CID 152746949
cyclopropane;1-methylpiperazine
CID 166166790
4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine)
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1-methylpyrrolidine;phosphane
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1-methylpiperidine
CID 160757527
CID 172772830
CID 172772830

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-1,6,11,16-tetrazacycloicosane?
The IUPAC name of 1,6-dimethyl-1,6,11,16-tetrazacycloicosane (CID 22113785) is 1,6-dimethyl-1,6,11,16-tetrazacycloicosane.
What is the SMILES notation for 1,6-dimethyl-1,6,11,16-tetrazacycloicosane?
The canonical SMILES for 1,6-dimethyl-1,6,11,16-tetrazacycloicosane is CN1CCCCNCCCCNCCCCN(C)CCCC1.
What is the InChIKey of 1,6-dimethyl-1,6,11,16-tetrazacycloicosane?
The InChIKey is YTFFCNRPEHILED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N4/c1-21-15-7-5-13-19-11-3-4-12-20-14-6-8-16-22(2)18-10-9-17-21/h19-20H,3-18H2,1-2H3.
What are the key properties of 1,6-dimethyl-1,6,11,16-tetrazacycloicosane?
1,6-dimethyl-1,6,11,16-tetrazacycloicosane has a molecular weight of 312.55 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-1,6,11,16-tetrazacycloicosane is sourced from PubChem (CID 22113785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).