6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine

C16H24ClN3O — CID 62890974

IUPAC6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN2CCOC3CCCC32)n1
InChIInChI=1S/C16H24ClN3O/c1-2-8-18-16-7-6-12(17)13(19-16)11-20-9-10-21-15-5-3-4-14(15)20/h6-7,14-15H,2-5,8-11H2,1H3,(H,18,19)
InChIKeyPNWAWNQRDCWUIU-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.31
Rot. Bonds5

About 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine

6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine (PubChem CID 62890974) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine
PubChem CID62890974
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN2CCOC3CCCC32)n1
InChIInChI=1S/C16H24ClN3O/c1-2-8-18-16-7-6-12(17)13(19-16)11-20-9-10-21-15-5-3-4-14(15)20/h6-7,14-15H,2-5,8-11H2,1H3,(H,18,19)
InChIKeyPNWAWNQRDCWUIU-UHFFFAOYSA-N
XLogP3.31
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine?
The IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine (CID 62890974) is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine?
The canonical SMILES for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CN2CCOC3CCCC32)n1.
What is the InChIKey of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine?
The InChIKey is PNWAWNQRDCWUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-2-8-18-16-7-6-12(17)13(19-16)11-20-9-10-21-15-5-3-4-14(15)20/h6-7,14-15H,2-5,8-11H2,1H3,(H,18,19).
What are the key properties of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine?
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine has a molecular weight of 309.84 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine is sourced from PubChem (CID 62890974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).