5-amino-6-methyl-1-morpholin-4-yloctan-4-one

C13H26N2O2 — CID 76787155

IUPAC5-amino-6-methyl-1-morpholin-4-yloctan-4-one
SMILESCCC(C)C(N)C(=O)CCCN1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-11(2)13(14)12(16)5-4-6-15-7-9-17-10-8-15/h11,13H,3-10,14H2,1-2H3
InChIKeyQPGJCOMRHOOYEM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds7

About 5-amino-6-methyl-1-morpholin-4-yloctan-4-one

5-amino-6-methyl-1-morpholin-4-yloctan-4-one (PubChem CID 76787155) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-amino-6-methyl-1-morpholin-4-yloctan-4-one.

Molecular Properties

Compound Name5-amino-6-methyl-1-morpholin-4-yloctan-4-one
PubChem CID76787155
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-amino-6-methyl-1-morpholin-4-yloctan-4-one
SMILESCCC(C)C(N)C(=O)CCCN1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-11(2)13(14)12(16)5-4-6-15-7-9-17-10-8-15/h11,13H,3-10,14H2,1-2H3
InChIKeyQPGJCOMRHOOYEM-UHFFFAOYSA-N
XLogP1.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one
CID 58441848
bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
CID 134229716
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 67172232
N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide
CID 68721250
6-(1,4-oxazepan-4-yl)hexan-3-one
CID 106801426
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
4-amino-3-methylheptadecan-5-one
CID 116552832
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
(2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide
CID 71313294
1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate
CID 67760616
(2S,3S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 61196351

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methyl-1-morpholin-4-yloctan-4-one?
The IUPAC name of 5-amino-6-methyl-1-morpholin-4-yloctan-4-one (CID 76787155) is 5-amino-6-methyl-1-morpholin-4-yloctan-4-one.
What is the SMILES notation for 5-amino-6-methyl-1-morpholin-4-yloctan-4-one?
The canonical SMILES for 5-amino-6-methyl-1-morpholin-4-yloctan-4-one is CCC(C)C(N)C(=O)CCCN1CCOCC1.
What is the InChIKey of 5-amino-6-methyl-1-morpholin-4-yloctan-4-one?
The InChIKey is QPGJCOMRHOOYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-11(2)13(14)12(16)5-4-6-15-7-9-17-10-8-15/h11,13H,3-10,14H2,1-2H3.
What are the key properties of 5-amino-6-methyl-1-morpholin-4-yloctan-4-one?
5-amino-6-methyl-1-morpholin-4-yloctan-4-one has a molecular weight of 242.36 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methyl-1-morpholin-4-yloctan-4-one is sourced from PubChem (CID 76787155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).