1-methoxy-3-(propylamino)hexan-2-one

C10H21NO2 — CID 59873058

IUPAC1-methoxy-3-(propylamino)hexan-2-one
SMILESCCCNC(CCC)C(=O)COC
InChIInChI=1S/C10H21NO2/c1-4-6-9(11-7-5-2)10(12)8-13-3/h9,11H,4-8H2,1-3H3
InChIKeyDSRYLHHARMTWSA-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.37
Rot. Bonds8

About 1-methoxy-3-(propylamino)hexan-2-one

1-methoxy-3-(propylamino)hexan-2-one (PubChem CID 59873058) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-methoxy-3-(propylamino)hexan-2-one.

Molecular Properties

Compound Name1-methoxy-3-(propylamino)hexan-2-one
PubChem CID59873058
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-methoxy-3-(propylamino)hexan-2-one
SMILESCCCNC(CCC)C(=O)COC
InChIInChI=1S/C10H21NO2/c1-4-6-9(11-7-5-2)10(12)8-13-3/h9,11H,4-8H2,1-3H3
InChIKeyDSRYLHHARMTWSA-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(propylamino)hexan-2-one?
The IUPAC name of 1-methoxy-3-(propylamino)hexan-2-one (CID 59873058) is 1-methoxy-3-(propylamino)hexan-2-one.
What is the SMILES notation for 1-methoxy-3-(propylamino)hexan-2-one?
The canonical SMILES for 1-methoxy-3-(propylamino)hexan-2-one is CCCNC(CCC)C(=O)COC.
What is the InChIKey of 1-methoxy-3-(propylamino)hexan-2-one?
The InChIKey is DSRYLHHARMTWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6-9(11-7-5-2)10(12)8-13-3/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-methoxy-3-(propylamino)hexan-2-one?
1-methoxy-3-(propylamino)hexan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(propylamino)hexan-2-one is sourced from PubChem (CID 59873058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).