di(cyclooctyl)azaniumylideneazanide

C16H30N2 — CID 18361652

IUPACdi(cyclooctyl)azaniumylideneazanide
SMILES[N-]=[N+](C1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C16H30N2/c17-18(15-11-7-3-1-4-8-12-15)16-13-9-5-2-6-10-14-16/h15-16H,1-14H2
InChIKeyMDAXCHVSNOCGJZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.25
Rot. Bonds2

About di(cyclooctyl)azaniumylideneazanide

di(cyclooctyl)azaniumylideneazanide (PubChem CID 18361652) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is di(cyclooctyl)azaniumylideneazanide.

Molecular Properties

Compound Namedi(cyclooctyl)azaniumylideneazanide
PubChem CID18361652
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Namedi(cyclooctyl)azaniumylideneazanide
SMILES[N-]=[N+](C1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C16H30N2/c17-18(15-11-7-3-1-4-8-12-15)16-13-9-5-2-6-10-14-16/h15-16H,1-14H2
InChIKeyMDAXCHVSNOCGJZ-UHFFFAOYSA-N
XLogP5.25
TPSA25.31 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
N-cycloheptylmethanimine oxide
CID 163654049
bis(1-cyclooctylcyclooctyl)azaniumylideneazanide
CID 18630094
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
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
bis(sulfanyl)methylidene-dicyclohexylazanium
CID 22834351
difluoromethylcyclopentadecane
CID 101486578

Frequently Asked Questions

What is the IUPAC name of di(cyclooctyl)azaniumylideneazanide?
The IUPAC name of di(cyclooctyl)azaniumylideneazanide (CID 18361652) is di(cyclooctyl)azaniumylideneazanide.
What is the SMILES notation for di(cyclooctyl)azaniumylideneazanide?
The canonical SMILES for di(cyclooctyl)azaniumylideneazanide is [N-]=[N+](C1CCCCCCC1)C1CCCCCCC1.
What is the InChIKey of di(cyclooctyl)azaniumylideneazanide?
The InChIKey is MDAXCHVSNOCGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c17-18(15-11-7-3-1-4-8-12-15)16-13-9-5-2-6-10-14-16/h15-16H,1-14H2.
What are the key properties of di(cyclooctyl)azaniumylideneazanide?
di(cyclooctyl)azaniumylideneazanide has a molecular weight of 250.43 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclooctyl)azaniumylideneazanide is sourced from PubChem (CID 18361652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).