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

C15H21Cl2N3O — CID 102757483

IUPAC6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine
SMILESCCCNc1nc(N2CCOC3CCCC32)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-2-6-18-14-10(16)9-11(17)15(19-14)20-7-8-21-13-5-3-4-12(13)20/h9,12-13H,2-8H2,1H3,(H,18,19)
InChIKeyCBFKDCWWKVFPHJ-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.97
Rot. Bonds4

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

6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine (PubChem CID 102757483) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine
PubChem CID102757483
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine
SMILESCCCNc1nc(N2CCOC3CCCC32)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-2-6-18-14-10(16)9-11(17)15(19-14)20-7-8-21-13-5-3-4-12(13)20/h9,12-13H,2-8H2,1H3,(H,18,19)
InChIKeyCBFKDCWWKVFPHJ-UHFFFAOYSA-N
XLogP3.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine with MolForge

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Related Compounds

6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80791082
3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine
CID 102755297
3,5-dichloro-6-(2,5-dimethylmorpholin-4-yl)-N-propylpyridin-2-amine
CID 102756113
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80791554
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812889
3,5-dichloro-6-(2,2-dimethylpyrrolidin-1-yl)-N-propylpyridin-2-amine
CID 102758185
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine
CID 80812470
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812642
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine
CID 62890974
3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine
CID 102760165
2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 102760175

Frequently Asked Questions

What is the IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine?
The IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine (CID 102757483) is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-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-yl)-3,5-dichloro-N-propylpyridin-2-amine?
The canonical SMILES for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine is CCCNc1nc(N2CCOC3CCCC32)c(Cl)cc1Cl.
What is the InChIKey of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine?
The InChIKey is CBFKDCWWKVFPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-2-6-18-14-10(16)9-11(17)15(19-14)20-7-8-21-13-5-3-4-12(13)20/h9,12-13H,2-8H2,1H3,(H,18,19).
What are the key properties of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine?
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine has a molecular weight of 330.26 g/mol, XLogP of 3.97, 4 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-yl)-3,5-dichloro-N-propylpyridin-2-amine is sourced from PubChem (CID 102757483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).