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

C15H23N3O — CID 79730916

IUPAC3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC2CCC(N)CC2)c1
InChIInChI=1S/C15H23N3O/c1-10-3-4-11(15(19)17-2)9-14(10)18-13-7-5-12(16)6-8-13/h3-4,9,12-13,18H,5-8,16H2,1-2H3,(H,17,19)
InChIKeyTZNIPCKAEMJIRT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.04
Rot. Bonds3

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

3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide (PubChem CID 79730916) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
PubChem CID79730916
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC2CCC(N)CC2)c1
InChIInChI=1S/C15H23N3O/c1-10-3-4-11(15(19)17-2)9-14(10)18-13-7-5-12(16)6-8-13/h3-4,9,12-13,18H,5-8,16H2,1-2H3,(H,17,19)
InChIKeyTZNIPCKAEMJIRT-UHFFFAOYSA-N
XLogP2.04
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cycloheptylamino)-N,4-dimethylbenzamide
CID 43726864
3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
CID 43726870
4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
CID 63357473
N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43734886
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
4-(cyclopropylamino)-N-methyl-3-sulfamoylbenzamide
CID 67530085
3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide
CID 64762636
3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide
CID 63044315
4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine
CID 115149697
ethyl 4-[(4-aminocyclohexyl)amino]-3-methylbenzoate
CID 130332687
4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 63357031
N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119474347

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide (CID 79730916) is 3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NC2CCC(N)CC2)c1.
What is the InChIKey of 3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide?
The InChIKey is TZNIPCKAEMJIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-3-4-11(15(19)17-2)9-14(10)18-13-7-5-12(16)6-8-13/h3-4,9,12-13,18H,5-8,16H2,1-2H3,(H,17,19).
What are the key properties of 3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide?
3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide is sourced from PubChem (CID 79730916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).