N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine

C16H22N2O — CID 91779728

IUPACN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine
SMILESc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)ccn1
InChIInChI=1S/C16H22N2O/c1-2-4-11(3-1)14-15(13-7-10-19-16(13)14)18-12-5-8-17-9-6-12/h5-6,8-9,11,13-16H,1-4,7,10H2,(H,17,18)/t13-,14+,15+,16-/m0/s1
InChIKeyUOBJAZONZSRDIK-JJXSEGSLSA-N
MW258.36 g/mol
LogP3.09
Rot. Bonds3

About N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine

N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine (PubChem CID 91779728) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine
PubChem CID91779728
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine
SMILESc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)ccn1
InChIInChI=1S/C16H22N2O/c1-2-4-11(3-1)14-15(13-7-10-19-16(13)14)18-12-5-8-17-9-6-12/h5-6,8-9,11,13-16H,1-4,7,10H2,(H,17,18)/t13-,14+,15+,16-/m0/s1
InChIKeyUOBJAZONZSRDIK-JJXSEGSLSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine?
The IUPAC name of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine (CID 91779728) is N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine.
What is the SMILES notation for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine?
The canonical SMILES for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine is c1cc(N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)ccn1.
What is the InChIKey of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine?
The InChIKey is UOBJAZONZSRDIK-JJXSEGSLSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-4-11(3-1)14-15(13-7-10-19-16(13)14)18-12-5-8-17-9-6-12/h5-6,8-9,11,13-16H,1-4,7,10H2,(H,17,18)/t13-,14+,15+,16-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine?
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine has a molecular weight of 258.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridin-4-amine is sourced from PubChem (CID 91779728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).