3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline

C16H26N2 — CID 65347606

IUPAC3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline
SMILESCC1CCCCC1N(C)CCc1cccc(N)c1
InChIInChI=1S/C16H26N2/c1-13-6-3-4-9-16(13)18(2)11-10-14-7-5-8-15(17)12-14/h5,7-8,12-13,16H,3-4,6,9-11,17H2,1-2H3
InChIKeyJPAGEEVSCPMTEO-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.32
Rot. Bonds4

About 3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline

3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline (PubChem CID 65347606) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline.

Molecular Properties

Compound Name3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline
PubChem CID65347606
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline
SMILESCC1CCCCC1N(C)CCc1cccc(N)c1
InChIInChI=1S/C16H26N2/c1-13-6-3-4-9-16(13)18(2)11-10-14-7-5-8-15(17)12-14/h5,7-8,12-13,16H,3-4,6,9-11,17H2,1-2H3
InChIKeyJPAGEEVSCPMTEO-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline?
The IUPAC name of 3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline (CID 65347606) is 3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline.
What is the SMILES notation for 3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline?
The canonical SMILES for 3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline is CC1CCCCC1N(C)CCc1cccc(N)c1.
What is the InChIKey of 3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline?
The InChIKey is JPAGEEVSCPMTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-6-3-4-9-16(13)18(2)11-10-14-7-5-8-15(17)12-14/h5,7-8,12-13,16H,3-4,6,9-11,17H2,1-2H3.
What are the key properties of 3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline?
3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline is sourced from PubChem (CID 65347606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).