4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline

C17H28N2 — CID 43747227

IUPAC4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline
SMILESCC1CCCC(C)C1Nc1ccc(CN(C)C)cc1
InChIInChI=1S/C17H28N2/c1-13-6-5-7-14(2)17(13)18-16-10-8-15(9-11-16)12-19(3)4/h8-11,13-14,17-18H,5-7,12H2,1-4H3
InChIKeyCNAYFMXOMQRZPJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.98
Rot. Bonds4

About 4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline

4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline (PubChem CID 43747227) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline
PubChem CID43747227
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline
SMILESCC1CCCC(C)C1Nc1ccc(CN(C)C)cc1
InChIInChI=1S/C17H28N2/c1-13-6-5-7-14(2)17(13)18-16-10-8-15(9-11-16)12-19(3)4/h8-11,13-14,17-18H,5-7,12H2,1-4H3
InChIKeyCNAYFMXOMQRZPJ-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)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 4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline (CID 43747227) is 4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline is CC1CCCC(C)C1Nc1ccc(CN(C)C)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline?
The InChIKey is CNAYFMXOMQRZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-6-5-7-14(2)17(13)18-16-10-8-15(9-11-16)12-19(3)4/h8-11,13-14,17-18H,5-7,12H2,1-4H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline?
4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-(2,6-dimethylcyclohexyl)aniline is sourced from PubChem (CID 43747227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).