2-propoxyethyl 4-aminocyclohexane-1-carboxylate

C12H23NO3 — CID 63684339

IUPAC2-propoxyethyl 4-aminocyclohexane-1-carboxylate
SMILESCCCOCCOC(=O)C1CCC(N)CC1
InChIInChI=1S/C12H23NO3/c1-2-7-15-8-9-16-12(14)10-3-5-11(13)6-4-10/h10-11H,2-9,13H2,1H3
InChIKeyFIZKLBSPPCKMFV-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.47
Rot. Bonds6

About 2-propoxyethyl 4-aminocyclohexane-1-carboxylate

2-propoxyethyl 4-aminocyclohexane-1-carboxylate (PubChem CID 63684339) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-propoxyethyl 4-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-propoxyethyl 4-aminocyclohexane-1-carboxylate
PubChem CID63684339
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-propoxyethyl 4-aminocyclohexane-1-carboxylate
SMILESCCCOCCOC(=O)C1CCC(N)CC1
InChIInChI=1S/C12H23NO3/c1-2-7-15-8-9-16-12(14)10-3-5-11(13)6-4-10/h10-11H,2-9,13H2,1H3
InChIKeyFIZKLBSPPCKMFV-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 4-aminocyclohexane-1-carboxylate?
The IUPAC name of 2-propoxyethyl 4-aminocyclohexane-1-carboxylate (CID 63684339) is 2-propoxyethyl 4-aminocyclohexane-1-carboxylate.
What is the SMILES notation for 2-propoxyethyl 4-aminocyclohexane-1-carboxylate?
The canonical SMILES for 2-propoxyethyl 4-aminocyclohexane-1-carboxylate is CCCOCCOC(=O)C1CCC(N)CC1.
What is the InChIKey of 2-propoxyethyl 4-aminocyclohexane-1-carboxylate?
The InChIKey is FIZKLBSPPCKMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-7-15-8-9-16-12(14)10-3-5-11(13)6-4-10/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-propoxyethyl 4-aminocyclohexane-1-carboxylate?
2-propoxyethyl 4-aminocyclohexane-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 4-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 63684339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).