7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride

C11H26Cl2N2O2 — CID 71726577

IUPAC7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride
SMILESCOCC(=O)CCCCCNCCCN.Cl.Cl
InChIInChI=1S/C11H24N2O2.2ClH/c1-15-10-11(14)6-3-2-4-8-13-9-5-7-12;;/h13H,2-10,12H2,1H3;2*1H
InChIKeyMMASJMIYHBLJRF-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.54
Rot. Bonds11

About 7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride

7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride (PubChem CID 71726577) has the molecular formula C11H26Cl2N2O2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride.

Molecular Properties

Compound Name7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride
PubChem CID71726577
Molecular FormulaC11H26Cl2N2O2
Molecular Weight289.25 g/mol
Exact Mass288.14
IUPAC Name7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride
SMILESCOCC(=O)CCCCCNCCCN.Cl.Cl
InChIInChI=1S/C11H24N2O2.2ClH/c1-15-10-11(14)6-3-2-4-8-13-9-5-7-12;;/h13H,2-10,12H2,1H3;2*1H
InChIKeyMMASJMIYHBLJRF-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride?
The IUPAC name of 7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride (CID 71726577) is 7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride.
What is the SMILES notation for 7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride?
The canonical SMILES for 7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride is COCC(=O)CCCCCNCCCN.Cl.Cl.
What is the InChIKey of 7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride?
The InChIKey is MMASJMIYHBLJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2.2ClH/c1-15-10-11(14)6-3-2-4-8-13-9-5-7-12;;/h13H,2-10,12H2,1H3;2*1H.
What are the key properties of 7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride?
7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride has a molecular weight of 289.25 g/mol, XLogP of 1.54, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropylamino)-1-methoxyheptan-2-one;dihydrochloride is sourced from PubChem (CID 71726577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).