N-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine

C10H20N2O — CID 130718384

IUPACN-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)ONC1CCN2CCC1C2
InChIInChI=1S/C10H20N2O/c1-8(2)13-11-10-4-6-12-5-3-9(10)7-12/h8-11H,3-7H2,1-2H3
InChIKeyBGQCYPSIXFJSCF-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.01
Rot. Bonds3

About N-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine

N-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 130718384) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID130718384
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)ONC1CCN2CCC1C2
InChIInChI=1S/C10H20N2O/c1-8(2)13-11-10-4-6-12-5-3-9(10)7-12/h8-11H,3-7H2,1-2H3
InChIKeyBGQCYPSIXFJSCF-UHFFFAOYSA-N
XLogP1.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.01
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-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine (CID 130718384) is N-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine is CC(C)ONC1CCN2CCC1C2.
What is the InChIKey of N-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is BGQCYPSIXFJSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)13-11-10-4-6-12-5-3-9(10)7-12/h8-11H,3-7H2,1-2H3.
What are the key properties of N-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine?
N-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 184.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 130718384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).