N-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine

C13H25N3O — CID 18919671

IUPACN-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine
SMILESCCN(CC)CCN1C2CCC1CC(=NO)C2
InChIInChI=1S/C13H25N3O/c1-3-15(4-2)7-8-16-12-5-6-13(16)10-11(9-12)14-17/h12-13,17H,3-10H2,1-2H3
InChIKeyUTJPEGKZRJVXCX-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.79
Rot. Bonds5

About N-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine

N-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine (PubChem CID 18919671) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine
PubChem CID18919671
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine
SMILESCCN(CC)CCN1C2CCC1CC(=NO)C2
InChIInChI=1S/C13H25N3O/c1-3-15(4-2)7-8-16-12-5-6-13(16)10-11(9-12)14-17/h12-13,17H,3-10H2,1-2H3
InChIKeyUTJPEGKZRJVXCX-UHFFFAOYSA-N
XLogP1.79
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine?
The IUPAC name of N-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine (CID 18919671) is N-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine?
The canonical SMILES for N-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine is CCN(CC)CCN1C2CCC1CC(=NO)C2.
What is the InChIKey of N-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine?
The InChIKey is UTJPEGKZRJVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-15(4-2)7-8-16-12-5-6-13(16)10-11(9-12)14-17/h12-13,17H,3-10H2,1-2H3.
What are the key properties of N-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine?
N-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine has a molecular weight of 239.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine is sourced from PubChem (CID 18919671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).