7-(3-aminopropylamino)heptan-2-one;dihydrochloride

C10H24Cl2N2O — CID 14484876

IUPAC7-(3-aminopropylamino)heptan-2-one;dihydrochloride
SMILESCC(=O)CCCCCNCCCN.Cl.Cl
InChIInChI=1S/C10H22N2O.2ClH/c1-10(13)6-3-2-4-8-12-9-5-7-11;;/h12H,2-9,11H2,1H3;2*1H
InChIKeyTYFJOSFZIWYCGQ-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.92
Rot. Bonds9

About 7-(3-aminopropylamino)heptan-2-one;dihydrochloride

7-(3-aminopropylamino)heptan-2-one;dihydrochloride (PubChem CID 14484876) has the molecular formula C10H24Cl2N2O and a molecular weight of 259.22 g/mol. Its IUPAC name is 7-(3-aminopropylamino)heptan-2-one;dihydrochloride.

Molecular Properties

Compound Name7-(3-aminopropylamino)heptan-2-one;dihydrochloride
PubChem CID14484876
Molecular FormulaC10H24Cl2N2O
Molecular Weight259.22 g/mol
Exact Mass258.13
IUPAC Name7-(3-aminopropylamino)heptan-2-one;dihydrochloride
SMILESCC(=O)CCCCCNCCCN.Cl.Cl
InChIInChI=1S/C10H22N2O.2ClH/c1-10(13)6-3-2-4-8-12-9-5-7-11;;/h12H,2-9,11H2,1H3;2*1H
InChIKeyTYFJOSFZIWYCGQ-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)heptan-2-one;dihydrochloride?
The IUPAC name of 7-(3-aminopropylamino)heptan-2-one;dihydrochloride (CID 14484876) is 7-(3-aminopropylamino)heptan-2-one;dihydrochloride.
What is the SMILES notation for 7-(3-aminopropylamino)heptan-2-one;dihydrochloride?
The canonical SMILES for 7-(3-aminopropylamino)heptan-2-one;dihydrochloride is CC(=O)CCCCCNCCCN.Cl.Cl.
What is the InChIKey of 7-(3-aminopropylamino)heptan-2-one;dihydrochloride?
The InChIKey is TYFJOSFZIWYCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.2ClH/c1-10(13)6-3-2-4-8-12-9-5-7-11;;/h12H,2-9,11H2,1H3;2*1H.
What are the key properties of 7-(3-aminopropylamino)heptan-2-one;dihydrochloride?
7-(3-aminopropylamino)heptan-2-one;dihydrochloride has a molecular weight of 259.22 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropylamino)heptan-2-one;dihydrochloride is sourced from PubChem (CID 14484876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).