benzoic acid;N,N-dimethylcyclohexanamine

C15H23NO2 — CID 173305474

IUPACbenzoic acid;N,N-dimethylcyclohexanamine
SMILESCN(C)C1CCCCC1.O=C(O)c1ccccc1
InChIInChI=1S/C8H17N.C7H6O2/c1-9(2)8-6-4-3-5-7-8;8-7(9)6-4-2-1-3-5-6/h8H,3-7H2,1-2H3;1-5H,(H,8,9)
InChIKeyRMKQQFBKPYDTFT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.27
Rot. Bonds2

About benzoic acid;N,N-dimethylcyclohexanamine

benzoic acid;N,N-dimethylcyclohexanamine (PubChem CID 173305474) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is benzoic acid;N,N-dimethylcyclohexanamine.

Molecular Properties

Compound Namebenzoic acid;N,N-dimethylcyclohexanamine
PubChem CID173305474
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namebenzoic acid;N,N-dimethylcyclohexanamine
SMILESCN(C)C1CCCCC1.O=C(O)c1ccccc1
InChIInChI=1S/C8H17N.C7H6O2/c1-9(2)8-6-4-3-5-7-8;8-7(9)6-4-2-1-3-5-6/h8H,3-7H2,1-2H3;1-5H,(H,8,9)
InChIKeyRMKQQFBKPYDTFT-UHFFFAOYSA-N
XLogP3.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;N,N-dimethylcyclohexanamine
CID 142054055
benzoic acid;methylcyclopentane
CID 68907828
3-[cycloheptyl(methyl)amino]benzoic acid
CID 102822720
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
azane;benzoic acid;carbamic acid;cyclohexanamine
CID 173025744
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
benzoic acid;methoxymethylcyclohexane
CID 175415905
benzoic acid;methanol
CID 67901482
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
N-[2-[benzoyl(cyclohexyl)amino]phenyl]-N-cyclohexylbenzamide
CID 171577199
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099

Frequently Asked Questions

What is the IUPAC name of benzoic acid;N,N-dimethylcyclohexanamine?
The IUPAC name of benzoic acid;N,N-dimethylcyclohexanamine (CID 173305474) is benzoic acid;N,N-dimethylcyclohexanamine.
What is the SMILES notation for benzoic acid;N,N-dimethylcyclohexanamine?
The canonical SMILES for benzoic acid;N,N-dimethylcyclohexanamine is CN(C)C1CCCCC1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;N,N-dimethylcyclohexanamine?
The InChIKey is RMKQQFBKPYDTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H6O2/c1-9(2)8-6-4-3-5-7-8;8-7(9)6-4-2-1-3-5-6/h8H,3-7H2,1-2H3;1-5H,(H,8,9).
What are the key properties of benzoic acid;N,N-dimethylcyclohexanamine?
benzoic acid;N,N-dimethylcyclohexanamine has a molecular weight of 249.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;N,N-dimethylcyclohexanamine is sourced from PubChem (CID 173305474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).