6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine

C12H24N2O — CID 66371997

IUPAC6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine
SMILESNCCCCCCN1CC2CCC(C1)O2
InChIInChI=1S/C12H24N2O/c13-7-3-1-2-4-8-14-9-11-5-6-12(10-14)15-11/h11-12H,1-10,13H2
InChIKeySSUJMAIZOFRWHG-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.37
Rot. Bonds6

About 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine

6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine (PubChem CID 66371997) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine
PubChem CID66371997
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine
SMILESNCCCCCCN1CC2CCC(C1)O2
InChIInChI=1S/C12H24N2O/c13-7-3-1-2-4-8-14-9-11-5-6-12(10-14)15-11/h11-12H,1-10,13H2
InChIKeySSUJMAIZOFRWHG-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
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 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine?
The IUPAC name of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine (CID 66371997) is 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine.
What is the SMILES notation for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine?
The canonical SMILES for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine is NCCCCCCN1CC2CCC(C1)O2.
What is the InChIKey of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine?
The InChIKey is SSUJMAIZOFRWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-7-3-1-2-4-8-14-9-11-5-6-12(10-14)15-11/h11-12H,1-10,13H2.
What are the key properties of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine?
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine is sourced from PubChem (CID 66371997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).