8-methyl-1,4,8,12-tetrazacyclopentadecane

C12H28N4 — CID 123280803

IUPAC8-methyl-1,4,8,12-tetrazacyclopentadecane
SMILESCN1CCCNCCCNCCNCCC1
InChIInChI=1S/C12H28N4/c1-16-11-3-7-13-5-2-6-14-9-10-15-8-4-12-16/h13-15H,2-12H2,1H3
InChIKeyBLOMAGHIHISVPM-UHFFFAOYSA-N
MW228.38 g/mol
LogP-0.13
Rot. Bonds

About 8-methyl-1,4,8,12-tetrazacyclopentadecane

8-methyl-1,4,8,12-tetrazacyclopentadecane (PubChem CID 123280803) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 8-methyl-1,4,8,12-tetrazacyclopentadecane.

Molecular Properties

Compound Name8-methyl-1,4,8,12-tetrazacyclopentadecane
PubChem CID123280803
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name8-methyl-1,4,8,12-tetrazacyclopentadecane
SMILESCN1CCCNCCCNCCNCCC1
InChIInChI=1S/C12H28N4/c1-16-11-3-7-13-5-2-6-14-9-10-15-8-4-12-16/h13-15H,2-12H2,1H3
InChIKeyBLOMAGHIHISVPM-UHFFFAOYSA-N
XLogP-0.13
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methyl-1,4,7,10,13-pentazacyclopentadecane
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1-methylpiperazine;bis(piperidine);pyrrolidine
CID 164970111
cyclopropane;1-methylpiperazine
CID 166166790
nickel(2+);1,4,8-trimethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate
CID 71676802
1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane
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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4,8,12-tetrazacyclopentadecane?
The IUPAC name of 8-methyl-1,4,8,12-tetrazacyclopentadecane (CID 123280803) is 8-methyl-1,4,8,12-tetrazacyclopentadecane.
What is the SMILES notation for 8-methyl-1,4,8,12-tetrazacyclopentadecane?
The canonical SMILES for 8-methyl-1,4,8,12-tetrazacyclopentadecane is CN1CCCNCCCNCCNCCC1.
What is the InChIKey of 8-methyl-1,4,8,12-tetrazacyclopentadecane?
The InChIKey is BLOMAGHIHISVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-16-11-3-7-13-5-2-6-14-9-10-15-8-4-12-16/h13-15H,2-12H2,1H3.
What are the key properties of 8-methyl-1,4,8,12-tetrazacyclopentadecane?
8-methyl-1,4,8,12-tetrazacyclopentadecane has a molecular weight of 228.38 g/mol, XLogP of -0.13, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4,8,12-tetrazacyclopentadecane is sourced from PubChem (CID 123280803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).