octyl 2-amino-2-cyclohexylacetate

C16H31NO2 — CID 63539863

IUPACoctyl 2-amino-2-cyclohexylacetate
SMILESCCCCCCCCOC(=O)C(N)C1CCCCC1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-10-13-19-16(18)15(17)14-11-8-7-9-12-14/h14-15H,2-13,17H2,1H3
InChIKeyBXVLAQLVWSTCHB-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.80
Rot. Bonds9

About octyl 2-amino-2-cyclohexylacetate

octyl 2-amino-2-cyclohexylacetate (PubChem CID 63539863) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is octyl 2-amino-2-cyclohexylacetate.

Molecular Properties

Compound Nameoctyl 2-amino-2-cyclohexylacetate
PubChem CID63539863
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Nameoctyl 2-amino-2-cyclohexylacetate
SMILESCCCCCCCCOC(=O)C(N)C1CCCCC1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-10-13-19-16(18)15(17)14-11-8-7-9-12-14/h14-15H,2-13,17H2,1H3
InChIKeyBXVLAQLVWSTCHB-UHFFFAOYSA-N
XLogP3.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-amino-2-cyclohexylacetate
CID 61016884
2-ethoxyethyl 2-amino-2-cyclohexylacetate
CID 61277823
dodecyl 2-cyclohexyl-2-(propoxycarbonylamino)acetate
CID 91732540
heptyl 2-aminopropanoate
CID 14657662
heptadecyl (2S)-2-aminopropanoate
CID 122384608
heptyl 2-(cyclohexanecarbonylamino)propanoate
CID 6420545
butyl (2R)-2-cyclopentyl-2-hydroxyacetate
CID 177105637
octadecyl N-cyclohexylcarbamate
CID 70449091
octyl N-cyclohexylcarbamate
CID 141434119
dodecyl (2R)-2-aminopropanoate;hydrochloride
CID 156902416
decyl 2-(3-chloropropoxycarbonylamino)-2-cyclohexylacetate
CID 91736837
1-O-ethyl 3-O-(6-methylheptyl) 2-cyclopentylpropanedioate
CID 174749012

Frequently Asked Questions

What is the IUPAC name of octyl 2-amino-2-cyclohexylacetate?
The IUPAC name of octyl 2-amino-2-cyclohexylacetate (CID 63539863) is octyl 2-amino-2-cyclohexylacetate.
What is the SMILES notation for octyl 2-amino-2-cyclohexylacetate?
The canonical SMILES for octyl 2-amino-2-cyclohexylacetate is CCCCCCCCOC(=O)C(N)C1CCCCC1.
What is the InChIKey of octyl 2-amino-2-cyclohexylacetate?
The InChIKey is BXVLAQLVWSTCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-4-5-6-10-13-19-16(18)15(17)14-11-8-7-9-12-14/h14-15H,2-13,17H2,1H3.
What are the key properties of octyl 2-amino-2-cyclohexylacetate?
octyl 2-amino-2-cyclohexylacetate has a molecular weight of 269.43 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-amino-2-cyclohexylacetate is sourced from PubChem (CID 63539863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).