2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one

C13H26N2O2 — CID 114174239

IUPAC2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
SMILESCCC(C)(CC)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-5-13(4,6-2)14-11(3)12(16)15-7-9-17-10-8-15/h11,14H,5-10H2,1-4H3
InChIKeyGMOVSTLVQUPLPX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds5

About 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one

2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one (PubChem CID 114174239) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
PubChem CID114174239
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
SMILESCCC(C)(CC)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-5-13(4,6-2)14-11(3)12(16)15-7-9-17-10-8-15/h11,14H,5-10H2,1-4H3
InChIKeyGMOVSTLVQUPLPX-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 114154119
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
1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347785
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114154103
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-(aminomethyl)-2-ethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide
CID 115760333
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736
1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea
CID 116657745
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 105058043
2-hydroxy-2-methyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
CID 104645019

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one (CID 114174239) is 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one is CCC(C)(CC)NC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is GMOVSTLVQUPLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-13(4,6-2)14-11(3)12(16)15-7-9-17-10-8-15/h11,14H,5-10H2,1-4H3.
What are the key properties of 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one?
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 114174239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).