(2,6-dipropylcyclohexyl) morpholine-4-carboxylate

C17H31NO3 — CID 58534209

IUPAC(2,6-dipropylcyclohexyl) morpholine-4-carboxylate
SMILESCCCC1CCCC(CCC)C1OC(=O)N1CCOCC1
InChIInChI=1S/C17H31NO3/c1-3-6-14-8-5-9-15(7-4-2)16(14)21-17(19)18-10-12-20-13-11-18/h14-16H,3-13H2,1-2H3
InChIKeySBGHWMRISWIJFK-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.84
Rot. Bonds5

About (2,6-dipropylcyclohexyl) morpholine-4-carboxylate

(2,6-dipropylcyclohexyl) morpholine-4-carboxylate (PubChem CID 58534209) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2,6-dipropylcyclohexyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(2,6-dipropylcyclohexyl) morpholine-4-carboxylate
PubChem CID58534209
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name(2,6-dipropylcyclohexyl) morpholine-4-carboxylate
SMILESCCCC1CCCC(CCC)C1OC(=O)N1CCOCC1
InChIInChI=1S/C17H31NO3/c1-3-6-14-8-5-9-15(7-4-2)16(14)21-17(19)18-10-12-20-13-11-18/h14-16H,3-13H2,1-2H3
InChIKeySBGHWMRISWIJFK-UHFFFAOYSA-N
XLogP3.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dipropylcyclohexyl) morpholine-4-carboxylate?
The IUPAC name of (2,6-dipropylcyclohexyl) morpholine-4-carboxylate (CID 58534209) is (2,6-dipropylcyclohexyl) morpholine-4-carboxylate.
What is the SMILES notation for (2,6-dipropylcyclohexyl) morpholine-4-carboxylate?
The canonical SMILES for (2,6-dipropylcyclohexyl) morpholine-4-carboxylate is CCCC1CCCC(CCC)C1OC(=O)N1CCOCC1.
What is the InChIKey of (2,6-dipropylcyclohexyl) morpholine-4-carboxylate?
The InChIKey is SBGHWMRISWIJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-6-14-8-5-9-15(7-4-2)16(14)21-17(19)18-10-12-20-13-11-18/h14-16H,3-13H2,1-2H3.
What are the key properties of (2,6-dipropylcyclohexyl) morpholine-4-carboxylate?
(2,6-dipropylcyclohexyl) morpholine-4-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dipropylcyclohexyl) morpholine-4-carboxylate is sourced from PubChem (CID 58534209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).