3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine

C12H21N5 — CID 82228423

IUPAC3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine
SMILESNCCCc1nnnn1CCC1=CCCCC1
InChIInChI=1S/C12H21N5/c13-9-4-7-12-14-15-16-17(12)10-8-11-5-2-1-3-6-11/h5H,1-4,6-10,13H2
InChIKeyALDZZCSLCTVYJE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.45
Rot. Bonds6

About 3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine

3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine (PubChem CID 82228423) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine
PubChem CID82228423
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine
SMILESNCCCc1nnnn1CCC1=CCCCC1
InChIInChI=1S/C12H21N5/c13-9-4-7-12-14-15-16-17(12)10-8-11-5-2-1-3-6-11/h5H,1-4,6-10,13H2
InChIKeyALDZZCSLCTVYJE-UHFFFAOYSA-N
XLogP1.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.45
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
5-methyl-1-[(Z)-octadec-9-enyl]tetrazole
CID 139706977
N-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine
CID 63151911
[1-[2-(Cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine
CID 82228300
2-[1-[2-(Cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine
CID 82228377
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 3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine?
The IUPAC name of 3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine (CID 82228423) is 3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine is NCCCc1nnnn1CCC1=CCCCC1.
What is the InChIKey of 3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine?
The InChIKey is ALDZZCSLCTVYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c13-9-4-7-12-14-15-16-17(12)10-8-11-5-2-1-3-6-11/h5H,1-4,6-10,13H2.
What are the key properties of 3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine?
3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine is sourced from PubChem (CID 82228423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).