7-amino-1-propan-2-yloxyheptan-2-one

C10H21NO2 — CID 116549957

IUPAC7-amino-1-propan-2-yloxyheptan-2-one
SMILESCC(C)OCC(=O)CCCCCN
InChIInChI=1S/C10H21NO2/c1-9(2)13-8-10(12)6-4-3-5-7-11/h9H,3-8,11H2,1-2H3
InChIKeyLQCGICITORZHGF-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.50
Rot. Bonds8

About 7-amino-1-propan-2-yloxyheptan-2-one

7-amino-1-propan-2-yloxyheptan-2-one (PubChem CID 116549957) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 7-amino-1-propan-2-yloxyheptan-2-one.

Molecular Properties

Compound Name7-amino-1-propan-2-yloxyheptan-2-one
PubChem CID116549957
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name7-amino-1-propan-2-yloxyheptan-2-one
SMILESCC(C)OCC(=O)CCCCCN
InChIInChI=1S/C10H21NO2/c1-9(2)13-8-10(12)6-4-3-5-7-11/h9H,3-8,11H2,1-2H3
InChIKeyLQCGICITORZHGF-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

1-Amino-5-ethoxynonan-4-one
CID 87592166
7-Amino-1-ethoxyheptan-2-one
CID 116549919
7-Amino-1-methoxyheptan-2-one
CID 116549962
7-Amino-3-methoxyheptan-2-one
CID 123659207
Butan-1-amine;2-methoxycyclohexan-1-one
CID 132247396
1-(2-Oxododecoxy)ethylazanium chloride
CID 140357483
Heptyl 5-amino-2-oxopentanoate
CID 140983646
(5S)-7-amino-5-pentoxyheptan-2-one
CID 142863449
7-(6-Aminohexoxy)heptan-2-one
CID 146201806
8-Amino-1-cyclohexyloxyoctan-2-one
CID 157281333
1-Ethoxy-7-(methylamino)heptan-2-one;methane
CID 158194061
1-Ethoxy-7-(methylamino)heptan-2-one
CID 158194062

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-propan-2-yloxyheptan-2-one?
The IUPAC name of 7-amino-1-propan-2-yloxyheptan-2-one (CID 116549957) is 7-amino-1-propan-2-yloxyheptan-2-one.
What is the SMILES notation for 7-amino-1-propan-2-yloxyheptan-2-one?
The canonical SMILES for 7-amino-1-propan-2-yloxyheptan-2-one is CC(C)OCC(=O)CCCCCN.
What is the InChIKey of 7-amino-1-propan-2-yloxyheptan-2-one?
The InChIKey is LQCGICITORZHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)13-8-10(12)6-4-3-5-7-11/h9H,3-8,11H2,1-2H3.
What are the key properties of 7-amino-1-propan-2-yloxyheptan-2-one?
7-amino-1-propan-2-yloxyheptan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-propan-2-yloxyheptan-2-one is sourced from PubChem (CID 116549957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).