1-[1-(1-adamantyl)ethyl]tetrazole

C13H20N4 — CID 660791

IUPAC1-[1-(1-adamantyl)ethyl]tetrazole
SMILESCC(n1cnnn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20N4/c1-9(17-8-14-15-16-17)13-5-10-2-11(6-13)4-12(3-10)7-13/h8-12H,2-7H2,1H3
InChIKeyCJCYVXLTLSHMKV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.45
Rot. Bonds2

About 1-[1-(1-adamantyl)ethyl]tetrazole

1-[1-(1-adamantyl)ethyl]tetrazole (PubChem CID 660791) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[1-(1-adamantyl)ethyl]tetrazole.

Molecular Properties

Compound Name1-[1-(1-adamantyl)ethyl]tetrazole
PubChem CID660791
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-[1-(1-adamantyl)ethyl]tetrazole
SMILESCC(n1cnnn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20N4/c1-9(17-8-14-15-16-17)13-5-10-2-11(6-13)4-12(3-10)7-13/h8-12H,2-7H2,1H3
InChIKeyCJCYVXLTLSHMKV-UHFFFAOYSA-N
XLogP2.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-adamantyl)ethyl]tetrazole?
The IUPAC name of 1-[1-(1-adamantyl)ethyl]tetrazole (CID 660791) is 1-[1-(1-adamantyl)ethyl]tetrazole.
What is the SMILES notation for 1-[1-(1-adamantyl)ethyl]tetrazole?
The canonical SMILES for 1-[1-(1-adamantyl)ethyl]tetrazole is CC(n1cnnn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[1-(1-adamantyl)ethyl]tetrazole?
The InChIKey is CJCYVXLTLSHMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9(17-8-14-15-16-17)13-5-10-2-11(6-13)4-12(3-10)7-13/h8-12H,2-7H2,1H3.
What are the key properties of 1-[1-(1-adamantyl)ethyl]tetrazole?
1-[1-(1-adamantyl)ethyl]tetrazole has a molecular weight of 232.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-adamantyl)ethyl]tetrazole is sourced from PubChem (CID 660791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).