10-amino-1-methoxy-3-methyldecan-4-one

C12H25NO2 — CID 116551483

IUPAC10-amino-1-methoxy-3-methyldecan-4-one
SMILESCOCCC(C)C(=O)CCCCCCN
InChIInChI=1S/C12H25NO2/c1-11(8-10-15-2)12(14)7-5-3-4-6-9-13/h11H,3-10,13H2,1-2H3
InChIKeyOLYWRYHWTGLXOX-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.14
Rot. Bonds10

About 10-amino-1-methoxy-3-methyldecan-4-one

10-amino-1-methoxy-3-methyldecan-4-one (PubChem CID 116551483) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 10-amino-1-methoxy-3-methyldecan-4-one.

Molecular Properties

Compound Name10-amino-1-methoxy-3-methyldecan-4-one
PubChem CID116551483
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name10-amino-1-methoxy-3-methyldecan-4-one
SMILESCOCCC(C)C(=O)CCCCCCN
InChIInChI=1S/C12H25NO2/c1-11(8-10-15-2)12(14)7-5-3-4-6-9-13/h11H,3-10,13H2,1-2H3
InChIKeyOLYWRYHWTGLXOX-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-methyltridecan-4-one
CID 115807260
11-amino-3-methylundecan-4-one
CID 176580818
2-(7-aminoheptanoylamino)-4-methoxybutanoic acid
CID 62478125
1-amino-3,8-dimethylnonan-4-one
CID 116594924
1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-one
CID 103147041
7-amino-N-(1-methoxypropan-2-yl)heptanamide
CID 24700699
(5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione
CID 162006820
(2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide
CID 170069625
1-[1-(aminomethyl)cyclohexyl]-4-methoxy-2-methylbutan-1-one
CID 116600634
8-(2-methoxyethoxy)-2-methyloctan-3-one
CID 103413613
(4S)-4,23-diamino-2-methyltricosan-5-one
CID 150736114
(11-formyloxy-7-methyl-6-oxoundecyl) formate
CID 170087712

Frequently Asked Questions

What is the IUPAC name of 10-amino-1-methoxy-3-methyldecan-4-one?
The IUPAC name of 10-amino-1-methoxy-3-methyldecan-4-one (CID 116551483) is 10-amino-1-methoxy-3-methyldecan-4-one.
What is the SMILES notation for 10-amino-1-methoxy-3-methyldecan-4-one?
The canonical SMILES for 10-amino-1-methoxy-3-methyldecan-4-one is COCCC(C)C(=O)CCCCCCN.
What is the InChIKey of 10-amino-1-methoxy-3-methyldecan-4-one?
The InChIKey is OLYWRYHWTGLXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(8-10-15-2)12(14)7-5-3-4-6-9-13/h11H,3-10,13H2,1-2H3.
What are the key properties of 10-amino-1-methoxy-3-methyldecan-4-one?
10-amino-1-methoxy-3-methyldecan-4-one has a molecular weight of 215.34 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-1-methoxy-3-methyldecan-4-one is sourced from PubChem (CID 116551483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).