(cyclobutylamino)methyl cyclohexanecarboxylate

C12H21NO2 — CID 151663957

IUPAC(cyclobutylamino)methyl cyclohexanecarboxylate
SMILESO=C(OCNC1CCC1)C1CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(10-5-2-1-3-6-10)15-9-13-11-7-4-8-11/h10-11,13H,1-9H2
InChIKeyQXCUZWYPKXCLBJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.21
Rot. Bonds4

About (cyclobutylamino)methyl cyclohexanecarboxylate

(cyclobutylamino)methyl cyclohexanecarboxylate (PubChem CID 151663957) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (cyclobutylamino)methyl cyclohexanecarboxylate.

Molecular Properties

Compound Name(cyclobutylamino)methyl cyclohexanecarboxylate
PubChem CID151663957
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(cyclobutylamino)methyl cyclohexanecarboxylate
SMILESO=C(OCNC1CCC1)C1CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(10-5-2-1-3-6-10)15-9-13-11-7-4-8-11/h10-11,13H,1-9H2
InChIKeyQXCUZWYPKXCLBJ-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (cyclobutylamino)methyl cyclohexanecarboxylate?
The IUPAC name of (cyclobutylamino)methyl cyclohexanecarboxylate (CID 151663957) is (cyclobutylamino)methyl cyclohexanecarboxylate.
What is the SMILES notation for (cyclobutylamino)methyl cyclohexanecarboxylate?
The canonical SMILES for (cyclobutylamino)methyl cyclohexanecarboxylate is O=C(OCNC1CCC1)C1CCCCC1.
What is the InChIKey of (cyclobutylamino)methyl cyclohexanecarboxylate?
The InChIKey is QXCUZWYPKXCLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(10-5-2-1-3-6-10)15-9-13-11-7-4-8-11/h10-11,13H,1-9H2.
What are the key properties of (cyclobutylamino)methyl cyclohexanecarboxylate?
(cyclobutylamino)methyl cyclohexanecarboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclobutylamino)methyl cyclohexanecarboxylate is sourced from PubChem (CID 151663957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).