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

C10H17N5 — CID 82228300

IUPAC[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine
SMILESNCc1nnnn1CCC1=CCCCC1
InChIInChI=1S/C10H17N5/c11-8-10-12-13-14-15(10)7-6-9-4-2-1-3-5-9/h4H,1-3,5-8,11H2
InChIKeyBTENIVJNRHMGMY-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.02
Rot. Bonds4

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

[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine (PubChem CID 82228300) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is [1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine
PubChem CID82228300
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine
SMILESNCc1nnnn1CCC1=CCCCC1
InChIInChI=1S/C10H17N5/c11-8-10-12-13-14-15(10)7-6-9-4-2-1-3-5-9/h4H,1-3,5-8,11H2
InChIKeyBTENIVJNRHMGMY-UHFFFAOYSA-N
XLogP1.02
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.02
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
2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 60975361
2-[1-[2-(Cyclohexen-1-yl)ethyl]tetrazol-5-yl]ethanamine
CID 82228377
3-[1-[2-(Cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine
CID 82228423
[4-[2-(Cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 82470351

Frequently Asked Questions

What is the IUPAC name of [1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine?
The IUPAC name of [1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine (CID 82228300) is [1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine?
The canonical SMILES for [1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine is NCc1nnnn1CCC1=CCCCC1.
What is the InChIKey of [1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine?
The InChIKey is BTENIVJNRHMGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c11-8-10-12-13-14-15(10)7-6-9-4-2-1-3-5-9/h4H,1-3,5-8,11H2.
What are the key properties of [1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine?
[1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine has a molecular weight of 207.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine is sourced from PubChem (CID 82228300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).