cyclohexanamine;4-propan-2-ylbenzoic acid

C16H25NO2 — CID 173455023

IUPACcyclohexanamine;4-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C(=O)O)cc1.NC1CCCCC1
InChIInChI=1S/C10H12O2.C6H13N/c1-7(2)8-3-5-9(6-4-8)10(11)12;7-6-4-2-1-3-5-6/h3-7H,1-2H3,(H,11,12);6H,1-5,7H2
InChIKeyJRULBSKCEJNLMM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.79
Rot. Bonds2

About cyclohexanamine;4-propan-2-ylbenzoic acid

cyclohexanamine;4-propan-2-ylbenzoic acid (PubChem CID 173455023) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is cyclohexanamine;4-propan-2-ylbenzoic acid.

Molecular Properties

Compound Namecyclohexanamine;4-propan-2-ylbenzoic acid
PubChem CID173455023
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namecyclohexanamine;4-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C(=O)O)cc1.NC1CCCCC1
InChIInChI=1S/C10H12O2.C6H13N/c1-7(2)8-3-5-9(6-4-8)10(11)12;7-6-4-2-1-3-5-6/h3-7H,1-2H3,(H,11,12);6H,1-5,7H2
InChIKeyJRULBSKCEJNLMM-UHFFFAOYSA-N
XLogP3.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
copper 4-propan-2-ylbenzoic acid
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azane;benzoic acid;carbamic acid;cyclohexanamine
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1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
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2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone
CID 103457516
N'-(cyclohexanecarbonyl)-4-propan-2-ylbenzohydrazide
CID 17177548
4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)benzoic acid
CID 139957756
pentane-2,4-diol;bis(4-propan-2-ylbenzoic acid)
CID 66727844
4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride
CID 171198147
4-[cyclohexyl(dimethylamino)methyl]benzoic acid
CID 116908454
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;4-propan-2-ylbenzoic acid?
The IUPAC name of cyclohexanamine;4-propan-2-ylbenzoic acid (CID 173455023) is cyclohexanamine;4-propan-2-ylbenzoic acid.
What is the SMILES notation for cyclohexanamine;4-propan-2-ylbenzoic acid?
The canonical SMILES for cyclohexanamine;4-propan-2-ylbenzoic acid is CC(C)c1ccc(C(=O)O)cc1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;4-propan-2-ylbenzoic acid?
The InChIKey is JRULBSKCEJNLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C6H13N/c1-7(2)8-3-5-9(6-4-8)10(11)12;7-6-4-2-1-3-5-6/h3-7H,1-2H3,(H,11,12);6H,1-5,7H2.
What are the key properties of cyclohexanamine;4-propan-2-ylbenzoic acid?
cyclohexanamine;4-propan-2-ylbenzoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;4-propan-2-ylbenzoic acid is sourced from PubChem (CID 173455023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).