N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine

C12H17N3O — CID 63589000

IUPACN-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCCOc1cccc(NC2C3CNCC32)n1
InChIInChI=1S/C12H17N3O/c1-2-16-11-5-3-4-10(14-11)15-12-8-6-13-7-9(8)12/h3-5,8-9,12-13H,2,6-7H2,1H3,(H,14,15)
InChIKeyFYECXVJEXGBHGA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.11
Rot. Bonds4

About N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine

N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 63589000) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID63589000
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCCOc1cccc(NC2C3CNCC32)n1
InChIInChI=1S/C12H17N3O/c1-2-16-11-5-3-4-10(14-11)15-12-8-6-13-7-9(8)12/h3-5,8-9,12-13H,2,6-7H2,1H3,(H,14,15)
InChIKeyFYECXVJEXGBHGA-UHFFFAOYSA-N
XLogP1.11
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 63589000) is N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine is CCOc1cccc(NC2C3CNCC32)n1.
What is the InChIKey of N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is FYECXVJEXGBHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-16-11-5-3-4-10(14-11)15-12-8-6-13-7-9(8)12/h3-5,8-9,12-13H,2,6-7H2,1H3,(H,14,15).
What are the key properties of N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 219.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 63589000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).