7-methoxy-5-methyl-3-(methylamino)heptan-2-one

C10H21NO2 — CID 163447432

IUPAC7-methoxy-5-methyl-3-(methylamino)heptan-2-one
SMILESCNC(CC(C)CCOC)C(C)=O
InChIInChI=1S/C10H21NO2/c1-8(5-6-13-4)7-10(11-3)9(2)12/h8,10-11H,5-7H2,1-4H3
InChIKeyBDRUNZOXYBAMBR-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.23
Rot. Bonds7

About 7-methoxy-5-methyl-3-(methylamino)heptan-2-one

7-methoxy-5-methyl-3-(methylamino)heptan-2-one (PubChem CID 163447432) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 7-methoxy-5-methyl-3-(methylamino)heptan-2-one.

Molecular Properties

Compound Name7-methoxy-5-methyl-3-(methylamino)heptan-2-one
PubChem CID163447432
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name7-methoxy-5-methyl-3-(methylamino)heptan-2-one
SMILESCNC(CC(C)CCOC)C(C)=O
InChIInChI=1S/C10H21NO2/c1-8(5-6-13-4)7-10(11-3)9(2)12/h8,10-11H,5-7H2,1-4H3
InChIKeyBDRUNZOXYBAMBR-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-methoxy-3-(methylamino)pentan-2-one
CID 130319211
6-methoxy-N,2,5-trimethylhex-1-en-3-amine
CID 105163815
methyl (4R)-6-methoxy-4-methylhexanoate
CID 10931927
(2R,4S)-4-methyl-2-(methylamino)hexanoic acid
CID 59874884
5,5-dihydroxy-3-(methylamino)pentan-2-one;ethene
CID 161480959
(3S)-5-hydroxy-3-(methylamino)pentan-2-one
CID 59960243
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
CID 104565015
4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid
CID 63055017
(3S)-3-(methylamino)-5-sulfanylpentan-2-one
CID 88948174
N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide
CID 142343906
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid
CID 103254849

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-3-(methylamino)heptan-2-one?
The IUPAC name of 7-methoxy-5-methyl-3-(methylamino)heptan-2-one (CID 163447432) is 7-methoxy-5-methyl-3-(methylamino)heptan-2-one.
What is the SMILES notation for 7-methoxy-5-methyl-3-(methylamino)heptan-2-one?
The canonical SMILES for 7-methoxy-5-methyl-3-(methylamino)heptan-2-one is CNC(CC(C)CCOC)C(C)=O.
What is the InChIKey of 7-methoxy-5-methyl-3-(methylamino)heptan-2-one?
The InChIKey is BDRUNZOXYBAMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(5-6-13-4)7-10(11-3)9(2)12/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 7-methoxy-5-methyl-3-(methylamino)heptan-2-one?
7-methoxy-5-methyl-3-(methylamino)heptan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-3-(methylamino)heptan-2-one is sourced from PubChem (CID 163447432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).