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

C14H33N5 — CID 13461315

IUPAC1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
SMILESCN1CCNCCN(C)CCN(C)CCN(C)CC1
InChIInChI=1S/C14H33N5/c1-16-7-5-15-6-8-17(2)10-12-19(4)14-13-18(3)11-9-16/h15H,5-14H2,1-4H3
InChIKeyUEWWNUVBLKXKBF-UHFFFAOYSA-N
MW271.45 g/mol
LogP-0.68
Rot. Bonds

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

1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane (PubChem CID 13461315) has the molecular formula C14H33N5 and a molecular weight of 271.45 g/mol. Its IUPAC name is 1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane.

Molecular Properties

Compound Name1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
PubChem CID13461315
Molecular FormulaC14H33N5
Molecular Weight271.45 g/mol
Exact Mass271.27
IUPAC Name1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
SMILESCN1CCNCCN(C)CCN(C)CCN(C)CC1
InChIInChI=1S/C14H33N5/c1-16-7-5-15-6-8-17(2)10-12-19(4)14-13-18(3)11-9-16/h15H,5-14H2,1-4H3
InChIKeyUEWWNUVBLKXKBF-UHFFFAOYSA-N
XLogP-0.68
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
ethane;1-methylpiperazine
CID 91350928
alumane;1-methylpiperazine
CID 173336720
1-methylpiperazine;dihydrochloride
CID 2734715
1-methylpiperazine;hydrate
CID 23128681
4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
CID 152746949
cyclopropane;1-methylpiperazine
CID 166166790
potassium;hydride;1-methylpiperazine
CID 174652278
ethane;methane;1-methylpiperazine
CID 142051303
7-methyl-1,4,7,10,13-pentazabicyclo[11.2.2]heptadecane
CID 58730173
manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride
CID 67603621
4-methylpiperazin-1-amine;1-methylpiperazine
CID 158167990

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane?
The IUPAC name of 1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane (CID 13461315) is 1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane.
What is the SMILES notation for 1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane?
The canonical SMILES for 1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane is CN1CCNCCN(C)CCN(C)CCN(C)CC1.
What is the InChIKey of 1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane?
The InChIKey is UEWWNUVBLKXKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N5/c1-16-7-5-15-6-8-17(2)10-12-19(4)14-13-18(3)11-9-16/h15H,5-14H2,1-4H3.
What are the key properties of 1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane?
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane has a molecular weight of 271.45 g/mol, XLogP of -0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane is sourced from PubChem (CID 13461315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).