1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine

C13H30N2O2 — CID 91209575

IUPAC1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine
SMILESCCCN.CCCNC(CCC)C(=O)COC
InChIInChI=1S/C10H21NO2.C3H9N/c1-4-6-9(11-7-5-2)10(12)8-13-3;1-2-3-4/h9,11H,4-8H2,1-3H3;2-4H2,1H3
InChIKeyUCTSVRRZUWUEBR-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.73
Rot. Bonds9

About 1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine

1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine (PubChem CID 91209575) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine.

Molecular Properties

Compound Name1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine
PubChem CID91209575
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine
SMILESCCCN.CCCNC(CCC)C(=O)COC
InChIInChI=1S/C10H21NO2.C3H9N/c1-4-6-9(11-7-5-2)10(12)8-13-3;1-2-3-4/h9,11H,4-8H2,1-3H3;2-4H2,1H3
InChIKeyUCTSVRRZUWUEBR-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine?
The IUPAC name of 1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine (CID 91209575) is 1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine.
What is the SMILES notation for 1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine?
The canonical SMILES for 1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine is CCCN.CCCNC(CCC)C(=O)COC.
What is the InChIKey of 1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine?
The InChIKey is UCTSVRRZUWUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.C3H9N/c1-4-6-9(11-7-5-2)10(12)8-13-3;1-2-3-4/h9,11H,4-8H2,1-3H3;2-4H2,1H3.
What are the key properties of 1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine?
1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine has a molecular weight of 246.39 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(propylamino)hexan-2-one;propan-1-amine is sourced from PubChem (CID 91209575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).