5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride

C14H28Cl2N2O2 — CID 18919570

IUPAC5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride
SMILESCC(=O)OCCCCCN1C2CCC1CC(N)C2.Cl.Cl
InChIInChI=1S/C14H26N2O2.2ClH/c1-11(17)18-8-4-2-3-7-16-13-5-6-14(16)10-12(15)9-13;;/h12-14H,2-10,15H2,1H3;2*1H
InChIKeyVDWFGAXVMWXWQK-UHFFFAOYSA-N
MW327.30 g/mol
LogP2.52
Rot. Bonds6

About 5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride

5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride (PubChem CID 18919570) has the molecular formula C14H28Cl2N2O2 and a molecular weight of 327.30 g/mol. Its IUPAC name is 5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride.

Molecular Properties

Compound Name5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride
PubChem CID18919570
Molecular FormulaC14H28Cl2N2O2
Molecular Weight327.30 g/mol
Exact Mass326.15
IUPAC Name5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride
SMILESCC(=O)OCCCCCN1C2CCC1CC(N)C2.Cl.Cl
InChIInChI=1S/C14H26N2O2.2ClH/c1-11(17)18-8-4-2-3-7-16-13-5-6-14(16)10-12(15)9-13;;/h12-14H,2-10,15H2,1H3;2*1H
InChIKeyVDWFGAXVMWXWQK-UHFFFAOYSA-N
XLogP2.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
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 5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride?
The IUPAC name of 5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride (CID 18919570) is 5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride.
What is the SMILES notation for 5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride?
The canonical SMILES for 5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride is CC(=O)OCCCCCN1C2CCC1CC(N)C2.Cl.Cl.
What is the InChIKey of 5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride?
The InChIKey is VDWFGAXVMWXWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.2ClH/c1-11(17)18-8-4-2-3-7-16-13-5-6-14(16)10-12(15)9-13;;/h12-14H,2-10,15H2,1H3;2*1H.
What are the key properties of 5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride?
5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride has a molecular weight of 327.30 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride is sourced from PubChem (CID 18919570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).