3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C14H18N2 — CID 561689

IUPAC3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILES[N-]=[N+]=C1C2CC3C4CC5CC3C1C(C5)C4C2
InChIInChI=1S/C14H18N2/c15-16-14-7-4-9-8-1-6-2-11(9)13(14)12(3-6)10(8)5-7/h6-13H,1-5H2
InChIKeyQAXQFZMKBMDZNY-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.61
Rot. Bonds

About 3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 561689) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID561689
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILES[N-]=[N+]=C1C2CC3C4CC5CC3C1C(C5)C4C2
InChIInChI=1S/C14H18N2/c15-16-14-7-4-9-8-1-6-2-11(9)13(14)12(3-6)10(8)5-7/h6-13H,1-5H2
InChIKeyQAXQFZMKBMDZNY-UHFFFAOYSA-N
XLogP2.61
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.61
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Bis(adamantan-2-ylidene)hydrazine
CID 535070
Diazoadamantane
CID 560893
Diadamantyldiazomethane
CID 12035684
2,4-Bis(diazo)adamantane
CID 560898
2,6-Bis(diazo)adamantane
CID 562320
Hydrazidiamantane
CID 9603761
Diamantanone azine
CID 9604369
2-[2-Adamantyl(diazo)methyl]adamantane
CID 137408771
Di(2-adamantyl)methanimine
CID 1234814
Bis(2-adamantyl)methylideneazanium
CID 7224676

Frequently Asked Questions

What is the IUPAC name of 3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 561689) is 3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is [N-]=[N+]=C1C2CC3C4CC5CC3C1C(C5)C4C2.
What is the InChIKey of 3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is QAXQFZMKBMDZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c15-16-14-7-4-9-8-1-6-2-11(9)13(14)12(3-6)10(8)5-7/h6-13H,1-5H2.
What are the key properties of 3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 214.31 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 561689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).