N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline

C16H22N4 — CID 64761600

IUPACN-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline
SMILESCC1CCC(C)C(Nc2ccccc2-n2ccnn2)C1
InChIInChI=1S/C16H22N4/c1-12-7-8-13(2)15(11-12)18-14-5-3-4-6-16(14)20-10-9-17-19-20/h3-6,9-10,12-13,15,18H,7-8,11H2,1-2H3
InChIKeyITIAPIJAJPDNCN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.50
Rot. Bonds3

About N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline

N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline (PubChem CID 64761600) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline
PubChem CID64761600
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline
SMILESCC1CCC(C)C(Nc2ccccc2-n2ccnn2)C1
InChIInChI=1S/C16H22N4/c1-12-7-8-13(2)15(11-12)18-14-5-3-4-6-16(14)20-10-9-17-19-20/h3-6,9-10,12-13,15,18H,7-8,11H2,1-2H3
InChIKeyITIAPIJAJPDNCN-UHFFFAOYSA-N
XLogP3.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline
CID 64733183
8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43676149
N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline
CID 107448012
N-[2-(triazol-1-yl)phenyl]piperidin-4-amine
CID 54902595
N-[2-(triazol-1-yl)phenyl]oxan-4-amine
CID 43676068
N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline
CID 64761397
N-(2,5-dimethylcyclohexyl)naphthalen-1-amine
CID 64776146
N-(2,5-dimethylcyclohexyl)-4-methylpyridin-3-amine
CID 64762714
N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline
CID 43779547
2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941818
N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline
CID 64762871
N-prop-2-ynyl-2-(triazol-1-yl)aniline
CID 63951872

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline (CID 64761600) is N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline is CC1CCC(C)C(Nc2ccccc2-n2ccnn2)C1.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline?
The InChIKey is ITIAPIJAJPDNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-7-8-13(2)15(11-12)18-14-5-3-4-6-16(14)20-10-9-17-19-20/h3-6,9-10,12-13,15,18H,7-8,11H2,1-2H3.
What are the key properties of N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline?
N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline has a molecular weight of 270.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)-2-(triazol-1-yl)aniline is sourced from PubChem (CID 64761600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).