N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline

C17H24N4 — CID 64761194

IUPACN-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCC1CCCC(Nc2ccc(Cn3cncn3)cc2)C1C
InChIInChI=1S/C17H24N4/c1-13-4-3-5-17(14(13)2)20-16-8-6-15(7-9-16)10-21-12-18-11-19-21/h6-9,11-14,17,20H,3-5,10H2,1-2H3
InChIKeyBCVVEXBHTAMXTB-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.56
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline

N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline (PubChem CID 64761194) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
PubChem CID64761194
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCC1CCCC(Nc2ccc(Cn3cncn3)cc2)C1C
InChIInChI=1S/C17H24N4/c1-13-4-3-5-17(14(13)2)20-16-8-6-15(7-9-16)10-21-12-18-11-19-21/h6-9,11-14,17,20H,3-5,10H2,1-2H3
InChIKeyBCVVEXBHTAMXTB-UHFFFAOYSA-N
XLogP3.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 64762801
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 71900165
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 124738524
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43673429
N-(2,6-dimethylcyclohexyl)-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 60932026
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898
N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 62071913
N-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 64917969
1,1-dioxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thian-4-amine
CID 43673426
N-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 82834065
2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 86928588

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline (CID 64761194) is N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline is CC1CCCC(Nc2ccc(Cn3cncn3)cc2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
The InChIKey is BCVVEXBHTAMXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-4-3-5-17(14(13)2)20-16-8-6-15(7-9-16)10-21-12-18-11-19-21/h6-9,11-14,17,20H,3-5,10H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline?
N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline has a molecular weight of 284.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline is sourced from PubChem (CID 64761194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).