N-(4-aminocyclohexyl)-N,3-dimethylbenzamide

C15H22N2O — CID 79121288

IUPACN-(4-aminocyclohexyl)-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C2CCC(N)CC2)c1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-12(10-11)15(18)17(2)14-8-6-13(16)7-9-14/h3-5,10,13-14H,6-9,16H2,1-2H3
InChIKeyHTNSNLKGWTUSBW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.34
Rot. Bonds2

About N-(4-aminocyclohexyl)-N,3-dimethylbenzamide

N-(4-aminocyclohexyl)-N,3-dimethylbenzamide (PubChem CID 79121288) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N,3-dimethylbenzamide
PubChem CID79121288
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(4-aminocyclohexyl)-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C2CCC(N)CC2)c1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-12(10-11)15(18)17(2)14-8-6-13(16)7-9-14/h3-5,10,13-14H,6-9,16H2,1-2H3
InChIKeyHTNSNLKGWTUSBW-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-aminocyclohexyl)-N,3-dimethylbenzamide 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

N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 79114417
N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
CID 79121217
N-(4-aminocyclohexyl)-4-hydroxy-N,3-dimethylbenzamide
CID 107672162
N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide
CID 79121701
N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
CID 43265122
N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
CID 79121540
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
N-cyclopropyl-3-(dimethylamino)-N-methylbenzamide
CID 110744271
N,3-dimethyl-N-piperidin-3-ylbenzamide
CID 60807215
N-cyclopropyl-3-hydrazinyl-N-methylbenzamide
CID 91201306
N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide
CID 79121715

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N,3-dimethylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-N,3-dimethylbenzamide (CID 79121288) is N-(4-aminocyclohexyl)-N,3-dimethylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N,3-dimethylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)C2CCC(N)CC2)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-N,3-dimethylbenzamide?
The InChIKey is HTNSNLKGWTUSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-4-3-5-12(10-11)15(18)17(2)14-8-6-13(16)7-9-14/h3-5,10,13-14H,6-9,16H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-N,3-dimethylbenzamide?
N-(4-aminocyclohexyl)-N,3-dimethylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N,3-dimethylbenzamide is sourced from PubChem (CID 79121288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).