1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane

C24H54N6 — CID 66730221

IUPAC1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
SMILESCCN1CCN(CC)CCN(CC)CCN(CC)CCN(CC)CCN(CC)CC1
InChIInChI=1S/C24H54N6/c1-7-25-13-15-26(8-2)17-19-28(10-4)21-23-30(12-6)24-22-29(11-5)20-18-27(9-3)16-14-25/h7-24H2,1-6H3
InChIKeyKDIWGOKDCFMBAP-UHFFFAOYSA-N
MW426.74 g/mol
LogP1.93
Rot. Bonds6

About 1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane

1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane (PubChem CID 66730221) has the molecular formula C24H54N6 and a molecular weight of 426.74 g/mol. Its IUPAC name is 1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane.

Molecular Properties

Compound Name1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
PubChem CID66730221
Molecular FormulaC24H54N6
Molecular Weight426.74 g/mol
Exact Mass426.44
IUPAC Name1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
SMILESCCN1CCN(CC)CCN(CC)CCN(CC)CCN(CC)CCN(CC)CC1
InChIInChI=1S/C24H54N6/c1-7-25-13-15-26(8-2)17-19-28(10-4)21-23-30(12-6)24-22-29(11-5)20-18-27(9-3)16-14-25/h7-24H2,1-6H3
InChIKeyKDIWGOKDCFMBAP-UHFFFAOYSA-N
XLogP1.93
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.74
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
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1,6-diethyl-1,6-diazecane
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4-ethylpiperazin-1-amine
CID 3015725
CID 163235298
CID 163235298
1-ethylpyrrolidine;hydrofluoride
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1-ethylpiperidine
CID 13007
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
(4-ethylpiperazin-1-yl)methanol;methane
CID 161108744
butane;1-ethyl-4-methylpiperazine
CID 143179774
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane?
The IUPAC name of 1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane (CID 66730221) is 1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane.
What is the SMILES notation for 1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane?
The canonical SMILES for 1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane is CCN1CCN(CC)CCN(CC)CCN(CC)CCN(CC)CCN(CC)CC1.
What is the InChIKey of 1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane?
The InChIKey is KDIWGOKDCFMBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N6/c1-7-25-13-15-26(8-2)17-19-28(10-4)21-23-30(12-6)24-22-29(11-5)20-18-27(9-3)16-14-25/h7-24H2,1-6H3.
What are the key properties of 1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane?
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane has a molecular weight of 426.74 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane is sourced from PubChem (CID 66730221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).