2-cyclooctyltetrazolidine

C9H20N4 — CID 130354515

IUPAC2-cyclooctyltetrazolidine
SMILESC1CCCC(N2NCNN2)CCC1
InChIInChI=1S/C9H20N4/c1-2-4-6-9(7-5-3-1)13-11-8-10-12-13/h9-12H,1-8H2
InChIKeyLYDADHNZNIQFEF-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.89
Rot. Bonds1

About 2-cyclooctyltetrazolidine

2-cyclooctyltetrazolidine (PubChem CID 130354515) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 2-cyclooctyltetrazolidine.

Molecular Properties

Compound Name2-cyclooctyltetrazolidine
PubChem CID130354515
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name2-cyclooctyltetrazolidine
SMILESC1CCCC(N2NCNN2)CCC1
InChIInChI=1S/C9H20N4/c1-2-4-6-9(7-5-3-1)13-11-8-10-12-13/h9-12H,1-8H2
InChIKeyLYDADHNZNIQFEF-UHFFFAOYSA-N
XLogP0.89
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclooctyl-1,2,4-triazolidine
CID 135257321
1-cyclohexyl-1,3-diazetidine
CID 20659802
3-cyclohexyloxatriazolidin-5-one
CID 3844947
1-cyclohexyl-3,4-difluoropyrrolidine
CID 53420720
(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane
CID 126565755
1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine
CID 175513739
3,6-dicyclohexyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dithione
CID 11439182
1-cyclohexyl-2-methylideneaziridine
CID 10510915
1,3,5,7-tetracyclohexyl-1,3,5,7,2λ2,4λ2,6λ2,8λ2-tetrazatetraplumbocane
CID 16688035
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyltetrazolidine?
The IUPAC name of 2-cyclooctyltetrazolidine (CID 130354515) is 2-cyclooctyltetrazolidine.
What is the SMILES notation for 2-cyclooctyltetrazolidine?
The canonical SMILES for 2-cyclooctyltetrazolidine is C1CCCC(N2NCNN2)CCC1.
What is the InChIKey of 2-cyclooctyltetrazolidine?
The InChIKey is LYDADHNZNIQFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-2-4-6-9(7-5-3-1)13-11-8-10-12-13/h9-12H,1-8H2.
What are the key properties of 2-cyclooctyltetrazolidine?
2-cyclooctyltetrazolidine has a molecular weight of 184.29 g/mol, XLogP of 0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyltetrazolidine is sourced from PubChem (CID 130354515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).