1-methyl-1,6,11,16-tetrazacycloicosane

C17H38N4 — CID 22113601

IUPAC1-methyl-1,6,11,16-tetrazacycloicosane
SMILESCN1CCCCNCCCCNCCCCNCCCC1
InChIInChI=1S/C17H38N4/c1-21-16-8-6-14-19-12-4-2-10-18-11-3-5-13-20-15-7-9-17-21/h18-20H,2-17H2,1H3
InChIKeyLEABHYDJVPVZFC-UHFFFAOYSA-N
MW298.52 g/mol
LogP1.82
Rot. Bonds

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

1-methyl-1,6,11,16-tetrazacycloicosane (PubChem CID 22113601) has the molecular formula C17H38N4 and a molecular weight of 298.52 g/mol. Its IUPAC name is 1-methyl-1,6,11,16-tetrazacycloicosane.

Molecular Properties

Compound Name1-methyl-1,6,11,16-tetrazacycloicosane
PubChem CID22113601
Molecular FormulaC17H38N4
Molecular Weight298.52 g/mol
Exact Mass298.31
IUPAC Name1-methyl-1,6,11,16-tetrazacycloicosane
SMILESCN1CCCCNCCCCNCCCCNCCCC1
InChIInChI=1S/C17H38N4/c1-21-16-8-6-14-19-12-4-2-10-18-11-3-5-13-20-15-7-9-17-21/h18-20H,2-17H2,1H3
InChIKeyLEABHYDJVPVZFC-UHFFFAOYSA-N
XLogP1.82
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-dimethyl-1,6,11,16-tetrazacycloicosane
CID 22113785
8-methyl-1,4,8,12-tetrazacyclopentadecane
CID 123280803
1-methyl-1,4-diazepane
CID 161378839
1-methylpiperazine;bis(piperidine);pyrrolidine
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1-methylpiperazine;piperazine;piperidine;pyrrolidine
CID 158850243
1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)
CID 160957043
4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
CID 152746949
cyclopropane;1-methylpiperazine
CID 166166790
4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine)
CID 160724796
1-methylpyrrolidine;phosphane
CID 159655297
1-methylpiperidine
CID 160757527
CID 172772830
CID 172772830

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,6,11,16-tetrazacycloicosane?
The IUPAC name of 1-methyl-1,6,11,16-tetrazacycloicosane (CID 22113601) is 1-methyl-1,6,11,16-tetrazacycloicosane.
What is the SMILES notation for 1-methyl-1,6,11,16-tetrazacycloicosane?
The canonical SMILES for 1-methyl-1,6,11,16-tetrazacycloicosane is CN1CCCCNCCCCNCCCCNCCCC1.
What is the InChIKey of 1-methyl-1,6,11,16-tetrazacycloicosane?
The InChIKey is LEABHYDJVPVZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N4/c1-21-16-8-6-14-19-12-4-2-10-18-11-3-5-13-20-15-7-9-17-21/h18-20H,2-17H2,1H3.
What are the key properties of 1-methyl-1,6,11,16-tetrazacycloicosane?
1-methyl-1,6,11,16-tetrazacycloicosane has a molecular weight of 298.52 g/mol, XLogP of 1.82, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,6,11,16-tetrazacycloicosane is sourced from PubChem (CID 22113601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).