cyclohexylmethyl 2-amino-2-cyclohexylacetate

C15H27NO2 — CID 62383818

IUPACcyclohexylmethyl 2-amino-2-cyclohexylacetate
SMILESNC(C(=O)OCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H27NO2/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h12-14H,1-11,16H2
InChIKeyXCDMHCSPKMDFFT-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.02
Rot. Bonds4

About cyclohexylmethyl 2-amino-2-cyclohexylacetate

cyclohexylmethyl 2-amino-2-cyclohexylacetate (PubChem CID 62383818) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is cyclohexylmethyl 2-amino-2-cyclohexylacetate.

Molecular Properties

Compound Namecyclohexylmethyl 2-amino-2-cyclohexylacetate
PubChem CID62383818
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namecyclohexylmethyl 2-amino-2-cyclohexylacetate
SMILESNC(C(=O)OCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H27NO2/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h12-14H,1-11,16H2
InChIKeyXCDMHCSPKMDFFT-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexylmethyl 2-amino-3-methylbutanoate
CID 62383261
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
oxan-2-ylmethyl 2-amino-2-cyclohexylacetate
CID 61277423
propyl 2-amino-2-cyclohexylacetate
CID 61016884
cyclopentylmethyl 2-aminobutanoate
CID 66322645
cyclohexylmethyl (2R)-2-aminopentanoate
CID 107565760
1,3-bis(cyclohexylmethoxy)-1,3-dioxopropane-2-sulfonic acid
CID 139504178
cyclopentylmethyl 2-amino-3,3-dimethylbutanoate
CID 66321580
1-O-(cyclopentylmethyl) 3-O-methyl 2-methylpropanedioate
CID 174748990
2-ethoxyethyl 2-amino-2-cyclohexylacetate
CID 61277823
octyl 2-amino-2-cyclohexylacetate
CID 63539863

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-amino-2-cyclohexylacetate?
The IUPAC name of cyclohexylmethyl 2-amino-2-cyclohexylacetate (CID 62383818) is cyclohexylmethyl 2-amino-2-cyclohexylacetate.
What is the SMILES notation for cyclohexylmethyl 2-amino-2-cyclohexylacetate?
The canonical SMILES for cyclohexylmethyl 2-amino-2-cyclohexylacetate is NC(C(=O)OCC1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2-amino-2-cyclohexylacetate?
The InChIKey is XCDMHCSPKMDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h12-14H,1-11,16H2.
What are the key properties of cyclohexylmethyl 2-amino-2-cyclohexylacetate?
cyclohexylmethyl 2-amino-2-cyclohexylacetate has a molecular weight of 253.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-amino-2-cyclohexylacetate is sourced from PubChem (CID 62383818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).