(5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate

C17H25NO2 — CID 8633

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate
SMILESCC1CCC(C(C)C)C(OC(=O)c2ccccc2N)C1
InChIInChI=1S/C17H25NO2/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16H,8-10,18H2,1-3H3
InChIKeySOXAGEOHPCXXIO-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.89
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate

(5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate (PubChem CID 8633) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate
PubChem CID8633
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate
SMILESCC1CCC(C(C)C)C(OC(=O)c2ccccc2N)C1
InChIInChI=1S/C17H25NO2/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16H,8-10,18H2,1-3H3
InChIKeySOXAGEOHPCXXIO-UHFFFAOYSA-N
XLogP3.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) 3-amino-2-methylbenzoate
CID 63446666
(5-methyl-2-propan-2-ylcyclohexyl) 2-chlorobenzoate
CID 71594437
2-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid
CID 18529176
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] naphthalene-2,3-dicarboxylate
CID 10390964
(5-methyl-2-propan-2-ylcyclohexyl) 2-amino-5-[[4-amino-3-(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylphenyl]diselanyl]benzoate
CID 170519195
(5-methyl-2-propan-2-ylcyclohexyl) 2-amino-6-methylbenzoate
CID 63446667
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 12641355
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510
(5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 104743106
(5-methyl-2-propan-2-ylcyclohexyl) 2-(2-aminophenyl)acetate
CID 61308508
(5-methyl-2-propan-2-ylcyclohexyl) 2,3-difluorobenzoate
CID 63840761
(5-methyl-2-propan-2-ylcyclohexyl) 2-(trimethylsilylamino)benzoate
CID 91731893

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate (CID 8633) is (5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate is CC1CCC(C(C)C)C(OC(=O)c2ccccc2N)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate?
The InChIKey is SOXAGEOHPCXXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16H,8-10,18H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate has a molecular weight of 275.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate is sourced from PubChem (CID 8633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).