7-amino-2-ethoxy-2-methylheptan-3-one

C10H21NO2 — CID 146555054

IUPAC7-amino-2-ethoxy-2-methylheptan-3-one
SMILESCCOC(C)(C)C(=O)CCCCN
InChIInChI=1S/C10H21NO2/c1-4-13-10(2,3)9(12)7-5-6-8-11/h4-8,11H2,1-3H3
InChIKeyMZPONHXMQWPOPE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.50
Rot. Bonds7

About 7-amino-2-ethoxy-2-methylheptan-3-one

7-amino-2-ethoxy-2-methylheptan-3-one (PubChem CID 146555054) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 7-amino-2-ethoxy-2-methylheptan-3-one.

Molecular Properties

Compound Name7-amino-2-ethoxy-2-methylheptan-3-one
PubChem CID146555054
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name7-amino-2-ethoxy-2-methylheptan-3-one
SMILESCCOC(C)(C)C(=O)CCCCN
InChIInChI=1S/C10H21NO2/c1-4-13-10(2,3)9(12)7-5-6-8-11/h4-8,11H2,1-3H3
InChIKeyMZPONHXMQWPOPE-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 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 ≤ 51.50
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

(4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione
CID 124639866
1,3-diethoxy-3-methylbutan-2-one
CID 116710340
ethyl 16-aminohexadecanoate;hydrobromide
CID 173405590
8-amino-1,1,1-trifluorooctan-2-one
CID 87826249
3-ethoxy-3-methyltridecan-4-one
CID 116746962
2-ethoxy-2-methyl-5-methylideneheptan-3-one
CID 116710259
2,2-diethoxypentan-3-one
CID 163406008
3-ethoxy-3-methyloctan-4-one
CID 116747000
butane-1,4-diamine;propanoic acid;hydrofluoride
CID 174574728
5-aminopentanamide;ethane
CID 145257040
ethyl 2,2-dimethyl-3-oxooctanoate
CID 175381300
ethyl carbamate;hexane-1,6-diamine
CID 161407066

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-ethoxy-2-methylheptan-3-one?
The IUPAC name of 7-amino-2-ethoxy-2-methylheptan-3-one (CID 146555054) is 7-amino-2-ethoxy-2-methylheptan-3-one.
What is the SMILES notation for 7-amino-2-ethoxy-2-methylheptan-3-one?
The canonical SMILES for 7-amino-2-ethoxy-2-methylheptan-3-one is CCOC(C)(C)C(=O)CCCCN.
What is the InChIKey of 7-amino-2-ethoxy-2-methylheptan-3-one?
The InChIKey is MZPONHXMQWPOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-13-10(2,3)9(12)7-5-6-8-11/h4-8,11H2,1-3H3.
What are the key properties of 7-amino-2-ethoxy-2-methylheptan-3-one?
7-amino-2-ethoxy-2-methylheptan-3-one has a molecular weight of 187.28 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-ethoxy-2-methylheptan-3-one is sourced from PubChem (CID 146555054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).