4-cyclooctyldiazocane

C14H28N2 — CID 70528396

IUPAC4-cyclooctyldiazocane
SMILESC1CCCC(C2CCCCNNC2)CCC1
InChIInChI=1S/C14H28N2/c1-2-4-8-13(9-5-3-1)14-10-6-7-11-15-16-12-14/h13-16H,1-12H2
InChIKeyITTALOAGRSSUHZ-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.24
Rot. Bonds1

About 4-cyclooctyldiazocane

4-cyclooctyldiazocane (PubChem CID 70528396) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-cyclooctyldiazocane.

Molecular Properties

Compound Name4-cyclooctyldiazocane
PubChem CID70528396
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-cyclooctyldiazocane
SMILESC1CCCC(C2CCCCNNC2)CCC1
InChIInChI=1S/C14H28N2/c1-2-4-8-13(9-5-3-1)14-10-6-7-11-15-16-12-14/h13-16H,1-12H2
InChIKeyITTALOAGRSSUHZ-UHFFFAOYSA-N
XLogP3.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine
CID 175513739
(3S)-3-cyclohexylpiperidine
CID 7016473
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclopentylcyclopentane;phosphane
CID 174792657
cyclononylcycloicosane
CID 123187062
(12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocycloundeca[c]pyrrole
CID 122625912
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
azane;cyclohexylcyclohexane
CID 66583255

Frequently Asked Questions

What is the IUPAC name of 4-cyclooctyldiazocane?
The IUPAC name of 4-cyclooctyldiazocane (CID 70528396) is 4-cyclooctyldiazocane.
What is the SMILES notation for 4-cyclooctyldiazocane?
The canonical SMILES for 4-cyclooctyldiazocane is C1CCCC(C2CCCCNNC2)CCC1.
What is the InChIKey of 4-cyclooctyldiazocane?
The InChIKey is ITTALOAGRSSUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-4-8-13(9-5-3-1)14-10-6-7-11-15-16-12-14/h13-16H,1-12H2.
What are the key properties of 4-cyclooctyldiazocane?
4-cyclooctyldiazocane has a molecular weight of 224.39 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclooctyldiazocane is sourced from PubChem (CID 70528396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).