1-methyl-1,4,7,10,13-pentazacyclopentadecane

C11H27N5 — CID 18705592

IUPAC1-methyl-1,4,7,10,13-pentazacyclopentadecane
SMILESCN1CCNCCNCCNCCNCC1
InChIInChI=1S/C11H27N5/c1-16-10-8-14-6-4-12-2-3-13-5-7-15-9-11-16/h12-15H,2-11H2,1H3
InChIKeyBTNRDBGZWVMBNX-UHFFFAOYSA-N
MW229.37 g/mol
LogP-1.71
Rot. Bonds

About 1-methyl-1,4,7,10,13-pentazacyclopentadecane

1-methyl-1,4,7,10,13-pentazacyclopentadecane (PubChem CID 18705592) has the molecular formula C11H27N5 and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-methyl-1,4,7,10,13-pentazacyclopentadecane.

Molecular Properties

Compound Name1-methyl-1,4,7,10,13-pentazacyclopentadecane
PubChem CID18705592
Molecular FormulaC11H27N5
Molecular Weight229.37 g/mol
Exact Mass229.23
IUPAC Name1-methyl-1,4,7,10,13-pentazacyclopentadecane
SMILESCN1CCNCCNCCNCCNCC1
InChIInChI=1S/C11H27N5/c1-16-10-8-14-6-4-12-2-3-13-5-7-15-9-11-16/h12-15H,2-11H2,1H3
InChIKeyBTNRDBGZWVMBNX-UHFFFAOYSA-N
XLogP-1.71
TPSA51.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride
CID 67603621
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
ethane;1-methylpiperazine
CID 91350928
alumane;1-methylpiperazine
CID 173336720
1-methylpiperazine;dihydrochloride
CID 2734715
1-methylpiperazine;hydrate
CID 23128681
cyclopropane;1-methylpiperazine
CID 166166790
potassium;hydride;1-methylpiperazine
CID 174652278
ethane;methane;1-methylpiperazine
CID 142051303
1-methylpiperazine;piperazine;piperidine;pyrrolidine
CID 158850243
7-methyl-1,4,7,10,13-pentazabicyclo[11.2.2]heptadecane
CID 58730173
4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
CID 152746949

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,4,7,10,13-pentazacyclopentadecane?
The IUPAC name of 1-methyl-1,4,7,10,13-pentazacyclopentadecane (CID 18705592) is 1-methyl-1,4,7,10,13-pentazacyclopentadecane.
What is the SMILES notation for 1-methyl-1,4,7,10,13-pentazacyclopentadecane?
The canonical SMILES for 1-methyl-1,4,7,10,13-pentazacyclopentadecane is CN1CCNCCNCCNCCNCC1.
What is the InChIKey of 1-methyl-1,4,7,10,13-pentazacyclopentadecane?
The InChIKey is BTNRDBGZWVMBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5/c1-16-10-8-14-6-4-12-2-3-13-5-7-15-9-11-16/h12-15H,2-11H2,1H3.
What are the key properties of 1-methyl-1,4,7,10,13-pentazacyclopentadecane?
1-methyl-1,4,7,10,13-pentazacyclopentadecane has a molecular weight of 229.37 g/mol, XLogP of -1.71, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,4,7,10,13-pentazacyclopentadecane is sourced from PubChem (CID 18705592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).