3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide

C15H23N3O — CID 79731247

IUPAC3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC2CCC(N)CC2)c1
InChIInChI=1S/C15H23N3O/c1-18(2)15(19)11-4-3-5-14(10-11)17-13-8-6-12(16)7-9-13/h3-5,10,12-13,17H,6-9,16H2,1-2H3
InChIKeyXMSXWVRNCAFTGU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.07
Rot. Bonds3

About 3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide

3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide (PubChem CID 79731247) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide
PubChem CID79731247
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC2CCC(N)CC2)c1
InChIInChI=1S/C15H23N3O/c1-18(2)15(19)11-4-3-5-14(10-11)17-13-8-6-12(16)7-9-13/h3-5,10,12-13,17H,6-9,16H2,1-2H3
InChIKeyXMSXWVRNCAFTGU-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-aminocyclopentyl)amino]-N,N-dimethylbenzamide
CID 79461660
N,N-dimethyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43725406
3-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43725453
N,N-diethyl-3-(thian-4-ylamino)benzamide
CID 43511332
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-[(4-propylcyclohexyl)amino]benzamide
CID 28540902
3-[(2-ethylcyclopentyl)amino]-N,N-dimethylbenzamide
CID 115928650
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79461229
N-[3-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43709947

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide (CID 79731247) is 3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC2CCC(N)CC2)c1.
What is the InChIKey of 3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide?
The InChIKey is XMSXWVRNCAFTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)15(19)11-4-3-5-14(10-11)17-13-8-6-12(16)7-9-13/h3-5,10,12-13,17H,6-9,16H2,1-2H3.
What are the key properties of 3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide?
3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 79731247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).