N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine

C13H21N3 — CID 144720712

IUPACN-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC1=CC(NC2CC3CCC(C2)N3)=NC1
InChIInChI=1S/C13H21N3/c1-2-9-5-13(14-8-9)16-12-6-10-3-4-11(7-12)15-10/h5,10-12,15H,2-4,6-8H2,1H3,(H,14,16)
InChIKeyJNYLLWQXJPXMNG-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.61
Rot. Bonds2

About N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 144720712) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID144720712
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC1=CC(NC2CC3CCC(C2)N3)=NC1
InChIInChI=1S/C13H21N3/c1-2-9-5-13(14-8-9)16-12-6-10-3-4-11(7-12)15-10/h5,10-12,15H,2-4,6-8H2,1H3,(H,14,16)
InChIKeyJNYLLWQXJPXMNG-UHFFFAOYSA-N
XLogP1.61
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-methylidene-4-piperidin-1-yl-2,4-dihydro-1H-azepin-7-imine
CID 177223318
N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine
CID 144720927

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 144720712) is N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine is CCC1=CC(NC2CC3CCC(C2)N3)=NC1.
What is the InChIKey of N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is JNYLLWQXJPXMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-9-5-13(14-8-9)16-12-6-10-3-4-11(7-12)15-10/h5,10-12,15H,2-4,6-8H2,1H3,(H,14,16).
What are the key properties of N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 219.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 144720712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).