azane;cyclohexyl acetate

C8H17NO2 — CID 174554221

IUPACazane;cyclohexyl acetate
SMILESCC(=O)OC1CCCCC1.N
InChIInChI=1S/C8H14O2.H3N/c1-7(9)10-8-5-3-2-4-6-8;/h8H,2-6H2,1H3;1H3
InChIKeyNFHKYGDKJXNKGS-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.04
Rot. Bonds1

About azane;cyclohexyl acetate

azane;cyclohexyl acetate (PubChem CID 174554221) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is azane;cyclohexyl acetate.

Molecular Properties

Compound Nameazane;cyclohexyl acetate
PubChem CID174554221
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameazane;cyclohexyl acetate
SMILESCC(=O)OC1CCCCC1.N
InChIInChI=1S/C8H14O2.H3N/c1-7(9)10-8-5-3-2-4-6-8;/h8H,2-6H2,1H3;1H3
InChIKeyNFHKYGDKJXNKGS-UHFFFAOYSA-N
XLogP2.04
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;cyclohexyl acetate?
The IUPAC name of azane;cyclohexyl acetate (CID 174554221) is azane;cyclohexyl acetate.
What is the SMILES notation for azane;cyclohexyl acetate?
The canonical SMILES for azane;cyclohexyl acetate is CC(=O)OC1CCCCC1.N.
What is the InChIKey of azane;cyclohexyl acetate?
The InChIKey is NFHKYGDKJXNKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.H3N/c1-7(9)10-8-5-3-2-4-6-8;/h8H,2-6H2,1H3;1H3.
What are the key properties of azane;cyclohexyl acetate?
azane;cyclohexyl acetate has a molecular weight of 159.23 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyclohexyl acetate is sourced from PubChem (CID 174554221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).