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

C17H32N2O2 — CID 103991059

IUPAC1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one
SMILESCC1(C)CC(NCCC(=O)N2CCOCC2)CC(C)(C)C1
InChIInChI=1S/C17H32N2O2/c1-16(2)11-14(12-17(3,4)13-16)18-6-5-15(20)19-7-9-21-10-8-19/h14,18H,5-13H2,1-4H3
InChIKeyWLTBKHZOGSDRGY-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.43
Rot. Bonds4

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

1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one (PubChem CID 103991059) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one
PubChem CID103991059
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one
SMILESCC1(C)CC(NCCC(=O)N2CCOCC2)CC(C)(C)C1
InChIInChI=1S/C17H32N2O2/c1-16(2)11-14(12-17(3,4)13-16)18-6-5-15(20)19-7-9-21-10-8-19/h14,18H,5-13H2,1-4H3
InChIKeyWLTBKHZOGSDRGY-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 106658991
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one
CID 114817889
3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 112681935
3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112700334
1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one
CID 115713495
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113355806
3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one
CID 60866002
3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one
CID 112696580

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one (CID 103991059) is 1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one is CC1(C)CC(NCCC(=O)N2CCOCC2)CC(C)(C)C1.
What is the InChIKey of 1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one?
The InChIKey is WLTBKHZOGSDRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2)11-14(12-17(3,4)13-16)18-6-5-15(20)19-7-9-21-10-8-19/h14,18H,5-13H2,1-4H3.
What are the key properties of 1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one?
1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one has a molecular weight of 296.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one is sourced from PubChem (CID 103991059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).