1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C23H30N6 — CID 3311481

IUPAC1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1cccc(C)c1-n1nnnc1C1(Nc2ccc(N(C)C)cc2)CCCCC1
InChIInChI=1S/C23H30N6/c1-17-9-8-10-18(2)21(17)29-22(25-26-27-29)23(15-6-5-7-16-23)24-19-11-13-20(14-12-19)28(3)4/h8-14,24H,5-7,15-16H2,1-4H3
InChIKeyOBFGSLIUFPITSV-UHFFFAOYSA-N
MW390.54 g/mol
LogP4.62
Rot. Bonds5

About 1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 3311481) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID3311481
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1cccc(C)c1-n1nnnc1C1(Nc2ccc(N(C)C)cc2)CCCCC1
InChIInChI=1S/C23H30N6/c1-17-9-8-10-18(2)21(17)29-22(25-26-27-29)23(15-6-5-7-16-23)24-19-11-13-20(14-12-19)28(3)4/h8-14,24H,5-7,15-16H2,1-4H3
InChIKeyOBFGSLIUFPITSV-UHFFFAOYSA-N
XLogP4.62
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 3311481) is 1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine is Cc1cccc(C)c1-n1nnnc1C1(Nc2ccc(N(C)C)cc2)CCCCC1.
What is the InChIKey of 1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is OBFGSLIUFPITSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-17-9-8-10-18(2)21(17)29-22(25-26-27-29)23(15-6-5-7-16-23)24-19-11-13-20(14-12-19)28(3)4/h8-14,24H,5-7,15-16H2,1-4H3.
What are the key properties of 1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 390.54 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 3311481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).