5-cycloheptyl-5-methyltetrazolidine

C9H20N4 — CID 142825596

IUPAC5-cycloheptyl-5-methyltetrazolidine
SMILESCC1(C2CCCCCC2)NNNN1
InChIInChI=1S/C9H20N4/c1-9(10-12-13-11-9)8-6-4-2-3-5-7-8/h8,10-13H,2-7H2,1H3
InChIKeyXGZXBUAXXXNDOV-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.79
Rot. Bonds1

About 5-cycloheptyl-5-methyltetrazolidine

5-cycloheptyl-5-methyltetrazolidine (PubChem CID 142825596) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 5-cycloheptyl-5-methyltetrazolidine.

Molecular Properties

Compound Name5-cycloheptyl-5-methyltetrazolidine
PubChem CID142825596
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name5-cycloheptyl-5-methyltetrazolidine
SMILESCC1(C2CCCCCC2)NNNN1
InChIInChI=1S/C9H20N4/c1-9(10-12-13-11-9)8-6-4-2-3-5-7-8/h8,10-13H,2-7H2,1H3
InChIKeyXGZXBUAXXXNDOV-UHFFFAOYSA-N
XLogP0.79
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-5-methyltetrazolidine?
The IUPAC name of 5-cycloheptyl-5-methyltetrazolidine (CID 142825596) is 5-cycloheptyl-5-methyltetrazolidine.
What is the SMILES notation for 5-cycloheptyl-5-methyltetrazolidine?
The canonical SMILES for 5-cycloheptyl-5-methyltetrazolidine is CC1(C2CCCCCC2)NNNN1.
What is the InChIKey of 5-cycloheptyl-5-methyltetrazolidine?
The InChIKey is XGZXBUAXXXNDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-9(10-12-13-11-9)8-6-4-2-3-5-7-8/h8,10-13H,2-7H2,1H3.
What are the key properties of 5-cycloheptyl-5-methyltetrazolidine?
5-cycloheptyl-5-methyltetrazolidine has a molecular weight of 184.29 g/mol, XLogP of 0.79, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-5-methyltetrazolidine is sourced from PubChem (CID 142825596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).