2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one

C14H26N2O3 — CID 83032817

IUPAC2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC1CCOC(C)(C)C1)C(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O3/c1-11(13(17)16-5-8-18-9-6-16)15-12-4-7-19-14(2,3)10-12/h11-12,15H,4-10H2,1-3H3
InChIKeyRUGFWAJUJXNXSJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.78
Rot. Bonds3

About 2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one

2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 83032817) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID83032817
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC1CCOC(C)(C)C1)C(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O3/c1-11(13(17)16-5-8-18-9-6-16)15-12-4-7-19-14(2,3)10-12/h11-12,15H,4-10H2,1-3H3
InChIKeyRUGFWAJUJXNXSJ-UHFFFAOYSA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one
CID 112551283
(2S)-2-(cyclohexylamino)-1-morpholin-4-ylpropan-1-one
CID 51675158
2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 83032742
1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one
CID 115889688
2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 83033520
2-[(3-methylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113348498
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide
CID 83033010
3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid
CID 83032728
2-[[(1S)-1-cyclopentylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81395367
methyl 3-[(2,2-dimethyloxan-4-yl)amino]butanoate
CID 83032645
N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine
CID 115896330

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 83032817) is 2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one is CC(NC1CCOC(C)(C)C1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is RUGFWAJUJXNXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(13(17)16-5-8-18-9-6-16)15-12-4-7-19-14(2,3)10-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 270.37 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 83032817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).