2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one

C16H29NO2 — CID 55094306

IUPAC2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CCOCC2CC)C1
InChIInChI=1S/C16H29NO2/c1-3-5-13-6-7-16(18)14(10-13)11-17-8-9-19-12-15(17)4-2/h13-15H,3-12H2,1-2H3
InChIKeyJGKRPWUIQPNMPT-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.88
Rot. Bonds5

About 2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one

2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one (PubChem CID 55094306) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one
PubChem CID55094306
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CCOCC2CC)C1
InChIInChI=1S/C16H29NO2/c1-3-5-13-6-7-16(18)14(10-13)11-17-8-9-19-12-15(17)4-2/h13-15H,3-12H2,1-2H3
InChIKeyJGKRPWUIQPNMPT-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one (CID 55094306) is 2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN2CCOCC2CC)C1.
What is the InChIKey of 2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one?
The InChIKey is JGKRPWUIQPNMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-5-13-6-7-16(18)14(10-13)11-17-8-9-19-12-15(17)4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one?
2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one has a molecular weight of 267.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 55094306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).