4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline

C15H24N2 — CID 55135728

IUPAC4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
SMILESCC1CCC(N(C)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N2/c1-12-3-9-15(10-4-12)17(2)11-13-5-7-14(16)8-6-13/h5-8,12,15H,3-4,9-11,16H2,1-2H3
InChIKeyZJPPUCDFBNWJJF-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.28
Rot. Bonds3

About 4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline

4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline (PubChem CID 55135728) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
PubChem CID55135728
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
SMILESCC1CCC(N(C)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N2/c1-12-3-9-15(10-4-12)17(2)11-13-5-7-14(16)8-6-13/h5-8,12,15H,3-4,9-11,16H2,1-2H3
InChIKeyZJPPUCDFBNWJJF-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarbothioamide
CID 61436967
N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904120
3-fluoro-4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768070
4-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]aniline
CID 43460624
4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline
CID 61439026
5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768605
2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide
CID 43384089
2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine
CID 15023223
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62418713
4-[[cyclopropyl-(3,4-dimethylcyclohexyl)amino]methyl]aniline
CID 64738781

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline?
The IUPAC name of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline (CID 55135728) is 4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline?
The canonical SMILES for 4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline is CC1CCC(N(C)Cc2ccc(N)cc2)CC1.
What is the InChIKey of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline?
The InChIKey is ZJPPUCDFBNWJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-3-9-15(10-4-12)17(2)11-13-5-7-14(16)8-6-13/h5-8,12,15H,3-4,9-11,16H2,1-2H3.
What are the key properties of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline?
4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline is sourced from PubChem (CID 55135728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).