7-[methoxymethyl(methyl)amino]heptan-2-one

C10H21NO2 — CID 164746042

IUPAC7-[methoxymethyl(methyl)amino]heptan-2-one
SMILESCOCN(C)CCCCCC(C)=O
InChIInChI=1S/C10H21NO2/c1-10(12)7-5-4-6-8-11(2)9-13-3/h4-9H2,1-3H3
InChIKeyQEMLZXZVODNRMM-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds8

About 7-[methoxymethyl(methyl)amino]heptan-2-one

7-[methoxymethyl(methyl)amino]heptan-2-one (PubChem CID 164746042) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 7-[methoxymethyl(methyl)amino]heptan-2-one.

Molecular Properties

Compound Name7-[methoxymethyl(methyl)amino]heptan-2-one
PubChem CID164746042
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name7-[methoxymethyl(methyl)amino]heptan-2-one
SMILESCOCN(C)CCCCCC(C)=O
InChIInChI=1S/C10H21NO2/c1-10(12)7-5-4-6-8-11(2)9-13-3/h4-9H2,1-3H3
InChIKeyQEMLZXZVODNRMM-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate
CID 20704262
N-dimethyl-N-(7-oxooctyl)boronamidic acid
CID 20759757
6-[3-(dimethylamino)propyl-methylamino]hexan-2-one
CID 63700931
N-(methoxymethyl)-N-methylhexan-1-amine
CID 142984213
7-[methyl(propan-2-yl)amino]heptan-2-one
CID 166554593
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid
CID 165011918
17-methoxyheptadecan-2-one
CID 59530855
methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate
CID 157418406
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
CID 62050969
6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803

Frequently Asked Questions

What is the IUPAC name of 7-[methoxymethyl(methyl)amino]heptan-2-one?
The IUPAC name of 7-[methoxymethyl(methyl)amino]heptan-2-one (CID 164746042) is 7-[methoxymethyl(methyl)amino]heptan-2-one.
What is the SMILES notation for 7-[methoxymethyl(methyl)amino]heptan-2-one?
The canonical SMILES for 7-[methoxymethyl(methyl)amino]heptan-2-one is COCN(C)CCCCCC(C)=O.
What is the InChIKey of 7-[methoxymethyl(methyl)amino]heptan-2-one?
The InChIKey is QEMLZXZVODNRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(12)7-5-4-6-8-11(2)9-13-3/h4-9H2,1-3H3.
What are the key properties of 7-[methoxymethyl(methyl)amino]heptan-2-one?
7-[methoxymethyl(methyl)amino]heptan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[methoxymethyl(methyl)amino]heptan-2-one is sourced from PubChem (CID 164746042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).