2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one

C12H24N2O2 — CID 61430745

IUPAC2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCOCC1(C)C
InChIInChI=1S/C12H24N2O2/c1-9(2)7-10(13)11(15)14-5-6-16-8-12(14,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyWVIPMZHEQAPTEB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds3

About 2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one

2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one (PubChem CID 61430745) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one
PubChem CID61430745
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCOCC1(C)C
InChIInChI=1S/C12H24N2O2/c1-9(2)7-10(13)11(15)14-5-6-16-8-12(14,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyWVIPMZHEQAPTEB-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one
CID 79022791
(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 78973108
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one
CID 61430245
(2R)-1-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropan-1-one
CID 126987422
2-amino-1-(3,3-dimethylmorpholin-4-yl)-5-methoxypentan-1-one
CID 81088420
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430243
1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 48521768
2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 61428446
(2S)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethyl]-3-methylbutanamide
CID 82961533
(2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one
CID 104877390
2-chloro-1-(3,3-dimethyl-1,4-oxazepan-4-yl)propan-1-one
CID 146095014
N-ethyl-N,3,3-trimethylmorpholine-4-carboxamide
CID 116654558

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one?
The IUPAC name of 2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one (CID 61430745) is 2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one is CC(C)CC(N)C(=O)N1CCOCC1(C)C.
What is the InChIKey of 2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one?
The InChIKey is WVIPMZHEQAPTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)7-10(13)11(15)14-5-6-16-8-12(14,3)4/h9-10H,5-8,13H2,1-4H3.
What are the key properties of 2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one?
2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one is sourced from PubChem (CID 61430745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).