2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine

C11H19N5 — CID 82228377

IUPAC2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine
SMILESNCCc1nnnn1CCC1=CCCCC1
InChIInChI=1S/C11H19N5/c12-8-6-11-13-14-15-16(11)9-7-10-4-2-1-3-5-10/h4H,1-3,5-9,12H2
InChIKeyWOQXUINEOPNCCQ-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.06
Rot. Bonds5

About 2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine

2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine (PubChem CID 82228377) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine
PubChem CID82228377
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine
SMILESNCCc1nnnn1CCC1=CCCCC1
InChIInChI=1S/C11H19N5/c12-8-6-11-13-14-15-16(11)9-7-10-4-2-1-3-5-10/h4H,1-3,5-9,12H2
InChIKeyWOQXUINEOPNCCQ-UHFFFAOYSA-N
XLogP1.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine
CID 70854996
[1-[2-(Cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine
CID 82228300
3-[1-[2-(Cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine
CID 82228423
2-[4-[2-(Cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine
CID 96658935

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine?
The IUPAC name of 2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine (CID 82228377) is 2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine is NCCc1nnnn1CCC1=CCCCC1.
What is the InChIKey of 2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine?
The InChIKey is WOQXUINEOPNCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c12-8-6-11-13-14-15-16(11)9-7-10-4-2-1-3-5-10/h4H,1-3,5-9,12H2.
What are the key properties of 2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine?
2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine has a molecular weight of 221.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 82228377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).