[2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine

C12H17N3 — CID 117045416

IUPAC[2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine
SMILESNCc1cccnc1N1CCC2CC2C1
InChIInChI=1S/C12H17N3/c13-7-10-2-1-4-14-12(10)15-5-3-9-6-11(9)8-15/h1-2,4,9,11H,3,5-8,13H2
InChIKeyKSGLPQKAOLXNCR-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.39
Rot. Bonds2

About [2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine

[2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine (PubChem CID 117045416) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is [2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine
PubChem CID117045416
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name[2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine
SMILESNCc1cccnc1N1CCC2CC2C1
InChIInChI=1S/C12H17N3/c13-7-10-2-1-4-14-12(10)15-5-3-9-6-11(9)8-15/h1-2,4,9,11H,3,5-8,13H2
InChIKeyKSGLPQKAOLXNCR-UHFFFAOYSA-N
XLogP1.39
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine (CID 117045416) is [2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine is NCc1cccnc1N1CCC2CC2C1.
What is the InChIKey of [2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine?
The InChIKey is KSGLPQKAOLXNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c13-7-10-2-1-4-14-12(10)15-5-3-9-6-11(9)8-15/h1-2,4,9,11H,3,5-8,13H2.
What are the key properties of [2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine?
[2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine has a molecular weight of 203.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 117045416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).