N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline

C16H25N — CID 79829148

IUPACN-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline
SMILESCc1ccc(NC2CCCCC2(C)C)c(C)c1
InChIInChI=1S/C16H25N/c1-12-8-9-14(13(2)11-12)17-15-7-5-6-10-16(15,3)4/h8-9,11,15,17H,5-7,10H2,1-4H3
InChIKeyNDZNNSBDEZWESP-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.68
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline

N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline (PubChem CID 79829148) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline
PubChem CID79829148
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline
SMILESCc1ccc(NC2CCCCC2(C)C)c(C)c1
InChIInChI=1S/C16H25N/c1-12-8-9-14(13(2)11-12)17-15-7-5-6-10-16(15,3)4/h8-9,11,15,17H,5-7,10H2,1-4H3
InChIKeyNDZNNSBDEZWESP-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline with MolForge

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

Launch Full Analysis

Related Compounds

1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808
N-(2,2-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 79828651
N-(2,2-dimethylcyclopentyl)-4-fluoro-2-methylaniline
CID 79864742
4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline
CID 79864654
2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline
CID 79864735
N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline
CID 79860481
N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 79829574
N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline
CID 114254485
2-chloro-1-N-(2,2-dimethylcyclohexyl)benzene-1,4-diamine
CID 79860993
1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine
CID 79860905
1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 79860994
N-(2,2-dimethylcyclohexyl)-2-fluoroaniline
CID 79828760

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline (CID 79829148) is N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline is Cc1ccc(NC2CCCCC2(C)C)c(C)c1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline?
The InChIKey is NDZNNSBDEZWESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-8-9-14(13(2)11-12)17-15-7-5-6-10-16(15,3)4/h8-9,11,15,17H,5-7,10H2,1-4H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline?
N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline has a molecular weight of 231.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline is sourced from PubChem (CID 79829148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).