5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine

C15H22N6 — CID 61470238

IUPAC5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine
SMILESCCC1CCCCC1n1nnnc1-c1cc(N)cc(N)c1
InChIInChI=1S/C15H22N6/c1-2-10-5-3-4-6-14(10)21-15(18-19-20-21)11-7-12(16)9-13(17)8-11/h7-10,14H,2-6,16-17H2,1H3
InChIKeyYGFOKPUWBYWSOU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.65
Rot. Bonds3

About 5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine

5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine (PubChem CID 61470238) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine
PubChem CID61470238
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine
SMILESCCC1CCCCC1n1nnnc1-c1cc(N)cc(N)c1
InChIInChI=1S/C15H22N6/c1-2-10-5-3-4-6-14(10)21-15(18-19-20-21)11-7-12(16)9-13(17)8-11/h7-10,14H,2-6,16-17H2,1H3
InChIKeyYGFOKPUWBYWSOU-UHFFFAOYSA-N
XLogP2.65
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(m-Aminophenyl)-1-isobutyl-1H-tetrazole hydrochloride
CID 3031869
3-[1-(2-Methylpropyl)tetrazol-5-yl]aniline
CID 3031870
2-(1-Cyclopropyl-1H-tetrazol-5-yl)benzenamine
CID 28818926
3-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)aniline
CID 14457675
3-(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)aniline
CID 16227503
4-(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)aniline
CID 17511960
N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline
CID 75455238
(2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide
CID 164630774
3-(Fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline
CID 89043604
2-(1-cyclohexyltetrazol-5-yl)-5-methyl-2,3-dihydro-1H-1,4-benzodiazepine
CID 136754268
3-Fluoro-4-(1-hexan-3-yltetrazol-5-yl)aniline
CID 55038008
4-Fluoro-3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 55038054

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine?
The IUPAC name of 5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine (CID 61470238) is 5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine.
What is the SMILES notation for 5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine?
The canonical SMILES for 5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine is CCC1CCCCC1n1nnnc1-c1cc(N)cc(N)c1.
What is the InChIKey of 5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine?
The InChIKey is YGFOKPUWBYWSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-10-5-3-4-6-14(10)21-15(18-19-20-21)11-7-12(16)9-13(17)8-11/h7-10,14H,2-6,16-17H2,1H3.
What are the key properties of 5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine?
5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine is sourced from PubChem (CID 61470238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).