1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one

C16H30N2O2 — CID 115889688

IUPAC1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one
SMILESCC1CC(NC(C)C(=O)N2CCOCC2)CC(C)(C)C1
InChIInChI=1S/C16H30N2O2/c1-12-9-14(11-16(3,4)10-12)17-13(2)15(19)18-5-7-20-8-6-18/h12-14,17H,5-11H2,1-4H3
InChIKeyYNWCJOJXWFNXTI-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds3

About 1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one

1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one (PubChem CID 115889688) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one
PubChem CID115889688
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one
SMILESCC1CC(NC(C)C(=O)N2CCOCC2)CC(C)(C)C1
InChIInChI=1S/C16H30N2O2/c1-12-9-14(11-16(3,4)10-12)17-13(2)15(19)18-5-7-20-8-6-18/h12-14,17H,5-11H2,1-4H3
InChIKeyYNWCJOJXWFNXTI-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one (CID 115889688) is 1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one is CC1CC(NC(C)C(=O)N2CCOCC2)CC(C)(C)C1.
What is the InChIKey of 1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one?
The InChIKey is YNWCJOJXWFNXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-9-14(11-16(3,4)10-12)17-13(2)15(19)18-5-7-20-8-6-18/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one?
1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one is sourced from PubChem (CID 115889688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).