1,8,15,22-tetrazacyclooctacosane

C24H52N4 — CID 15722579

IUPAC1,8,15,22-tetrazacyclooctacosane
SMILESC1CCCNCCCCCCNCCCCCCNCCCCCCNCC1
InChIInChI=1S/C24H52N4/c1-2-10-18-26-20-12-5-6-14-22-28-24-16-8-7-15-23-27-21-13-4-3-11-19-25-17-9-1/h25-28H,1-24H2
InChIKeyMBVUZOCXPACZLS-UHFFFAOYSA-N
MW396.71 g/mol
LogP4.60
Rot. Bonds

About 1,8,15,22-tetrazacyclooctacosane

1,8,15,22-tetrazacyclooctacosane (PubChem CID 15722579) has the molecular formula C24H52N4 and a molecular weight of 396.71 g/mol. Its IUPAC name is 1,8,15,22-tetrazacyclooctacosane.

Molecular Properties

Compound Name1,8,15,22-tetrazacyclooctacosane
PubChem CID15722579
Molecular FormulaC24H52N4
Molecular Weight396.71 g/mol
Exact Mass396.42
IUPAC Name1,8,15,22-tetrazacyclooctacosane
SMILESC1CCCNCCCCCCNCCCCCCNCCCCCCNCC1
InChIInChI=1S/C24H52N4/c1-2-10-18-26-20-12-5-6-14-22-28-24-16-8-7-15-23-27-21-13-4-3-11-19-25-17-9-1/h25-28H,1-24H2
InChIKeyMBVUZOCXPACZLS-UHFFFAOYSA-N
XLogP4.60
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.71
LogP ≤ 54.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 8924
Dioctylamine
CID 3094
N1,N4-Bis(4-(ethylamino)butyl)-1,4-butanediamine
CID 60702
Bis(8-aminooctyl)amine
CID 10199351
N,N'-Dibutyl-1,6-hexanediamine
CID 20972
Ditridecylamine
CID 22200
Didodecylamine
CID 18157
N1-Octadecyl-1,3-propanediamine
CID 77931
Dimyristylamine
CID 87077
Didecylamine
CID 14261
BE 4-4-4-4
CID 368998
1,7-Heptanediamine, N,N'-bis(3-aminopropyl)-
CID 492218

Frequently Asked Questions

What is the IUPAC name of 1,8,15,22-tetrazacyclooctacosane?
The IUPAC name of 1,8,15,22-tetrazacyclooctacosane (CID 15722579) is 1,8,15,22-tetrazacyclooctacosane.
What is the SMILES notation for 1,8,15,22-tetrazacyclooctacosane?
The canonical SMILES for 1,8,15,22-tetrazacyclooctacosane is C1CCCNCCCCCCNCCCCCCNCCCCCCNCC1.
What is the InChIKey of 1,8,15,22-tetrazacyclooctacosane?
The InChIKey is MBVUZOCXPACZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N4/c1-2-10-18-26-20-12-5-6-14-22-28-24-16-8-7-15-23-27-21-13-4-3-11-19-25-17-9-1/h25-28H,1-24H2.
What are the key properties of 1,8,15,22-tetrazacyclooctacosane?
1,8,15,22-tetrazacyclooctacosane has a molecular weight of 396.71 g/mol, XLogP of 4.60, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,15,22-tetrazacyclooctacosane is sourced from PubChem (CID 15722579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).