N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine

C15H23N3O — CID 105073347

IUPACN-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1N1CCOC2CCCC21
InChIInChI=1S/C15H23N3O/c1-2-16-10-12-6-7-17-11-14(12)18-8-9-19-15-5-3-4-13(15)18/h6-7,11,13,15-16H,2-5,8-10H2,1H3
InChIKeyFSPARKWZYRBUCD-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.95
Rot. Bonds4

About N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine

N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine (PubChem CID 105073347) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine
PubChem CID105073347
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1N1CCOC2CCCC21
InChIInChI=1S/C15H23N3O/c1-2-16-10-12-6-7-17-11-14(12)18-8-9-19-15-5-3-4-13(15)18/h6-7,11,13,15-16H,2-5,8-10H2,1H3
InChIKeyFSPARKWZYRBUCD-UHFFFAOYSA-N
XLogP1.95
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

N-[[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 102728438
N-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-chlorophenyl]methyl]ethanamine
CID 114850329
N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 62293718
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105389418
N-[[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 105074198
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105073924
N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105074044
N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074117
N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 81246777
N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105073329
N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine
CID 105073842

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine (CID 105073347) is N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine is CCNCc1ccncc1N1CCOC2CCCC21.
What is the InChIKey of N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine?
The InChIKey is FSPARKWZYRBUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-16-10-12-6-7-17-11-14(12)18-8-9-19-15-5-3-4-13(15)18/h6-7,11,13,15-16H,2-5,8-10H2,1H3.
What are the key properties of N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine?
N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105073347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).