N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine

C10H16N2O — CID 130979815

IUPACN-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine
SMILESC#CCONC1CCN2CCC1C2
InChIInChI=1S/C10H16N2O/c1-2-7-13-11-10-4-6-12-5-3-9(10)8-12/h1,9-11H,3-8H2
InChIKeyRNFOBHGMTZTPTG-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.23
Rot. Bonds3

About N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine

N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 130979815) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID130979815
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine
SMILESC#CCONC1CCN2CCC1C2
InChIInChI=1S/C10H16N2O/c1-2-7-13-11-10-4-6-12-5-3-9(10)8-12/h1,9-11H,3-8H2
InChIKeyRNFOBHGMTZTPTG-UHFFFAOYSA-N
XLogP0.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine (CID 130979815) is N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine is C#CCONC1CCN2CCC1C2.
What is the InChIKey of N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is RNFOBHGMTZTPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-7-13-11-10-4-6-12-5-3-9(10)8-12/h1,9-11H,3-8H2.
What are the key properties of N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine?
N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 180.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 130979815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).