2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one

C13H26N2O3 — CID 114154119

IUPAC2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCCC(C)(CCO)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-4-13(3,5-8-16)14-11(2)12(17)15-6-9-18-10-7-15/h11,14,16H,4-10H2,1-3H3
InChIKeyHYUKGOJVIUOZQU-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.37
Rot. Bonds6

About 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 114154119) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID114154119
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCCC(C)(CCO)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-4-13(3,5-8-16)14-11(2)12(17)15-6-9-18-10-7-15/h11,14,16H,4-10H2,1-3H3
InChIKeyHYUKGOJVIUOZQU-UHFFFAOYSA-N
XLogP0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114154103
3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
CID 79789681
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone
CID 103746720
2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104624292
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 105058043
1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347785
3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 113408370
2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 107446064
2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one
CID 107703595
2-(aminomethyl)-2-ethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide
CID 115760333
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 113484800

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 114154119) is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one is CCC(C)(CCO)NC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is HYUKGOJVIUOZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-13(3,5-8-16)14-11(2)12(17)15-6-9-18-10-7-15/h11,14,16H,4-10H2,1-3H3.
What are the key properties of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one?
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 258.36 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 114154119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).