5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine

C13H17N3 — CID 123189002

IUPAC5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine
SMILESC1=NC1c1ccc(NC2CCCCC2)nc1
InChIInChI=1S/C13H17N3/c1-2-4-11(5-3-1)16-13-7-6-10(8-15-13)12-9-14-12/h6-9,11-12H,1-5H2,(H,15,16)
InChIKeyCUKKIKGFGCFLPT-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.95
Rot. Bonds3

About 5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine

5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine (PubChem CID 123189002) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine.

Molecular Properties

Compound Name5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine
PubChem CID123189002
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine
SMILESC1=NC1c1ccc(NC2CCCCC2)nc1
InChIInChI=1S/C13H17N3/c1-2-4-11(5-3-1)16-13-7-6-10(8-15-13)12-9-14-12/h6-9,11-12H,1-5H2,(H,15,16)
InChIKeyCUKKIKGFGCFLPT-UHFFFAOYSA-N
XLogP2.95
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine?
The IUPAC name of 5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine (CID 123189002) is 5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine.
What is the SMILES notation for 5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine?
The canonical SMILES for 5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine is C1=NC1c1ccc(NC2CCCCC2)nc1.
What is the InChIKey of 5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine?
The InChIKey is CUKKIKGFGCFLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-4-11(5-3-1)16-13-7-6-10(8-15-13)12-9-14-12/h6-9,11-12H,1-5H2,(H,15,16).
What are the key properties of 5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine?
5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-azirin-2-yl)-N-cyclohexylpyridin-2-amine is sourced from PubChem (CID 123189002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).