N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine

C9H18N2O — CID 105364800

IUPACN-ethoxy-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCONC1CCN2CCC1C2
InChIInChI=1S/C9H18N2O/c1-2-12-10-9-4-6-11-5-3-8(9)7-11/h8-10H,2-7H2,1H3
InChIKeyRLWTXBSSWAUZLI-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.62
Rot. Bonds3

About N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine

N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364800) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-ethoxy-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364800
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-ethoxy-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCONC1CCN2CCC1C2
InChIInChI=1S/C9H18N2O/c1-2-12-10-9-4-6-11-5-3-8(9)7-11/h8-10H,2-7H2,1H3
InChIKeyRLWTXBSSWAUZLI-UHFFFAOYSA-N
XLogP0.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine (CID 105364800) is N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine is CCONC1CCN2CCC1C2.
What is the InChIKey of N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is RLWTXBSSWAUZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-12-10-9-4-6-11-5-3-8(9)7-11/h8-10H,2-7H2,1H3.
What are the key properties of N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine?
N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 170.26 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).