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

C15H23N3O — CID 62293718

IUPACN-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CCOC2CCCC21
InChIInChI=1S/C15H23N3O/c1-2-16-11-12-5-4-8-17-15(12)18-9-10-19-14-7-3-6-13(14)18/h4-5,8,13-14,16H,2-3,6-7,9-11H2,1H3
InChIKeyKERDQTQGJFKCFL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.95
Rot. Bonds4

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

N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 62293718) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID62293718
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CCOC2CCCC21
InChIInChI=1S/C15H23N3O/c1-2-16-11-12-5-4-8-17-15(12)18-9-10-19-14-7-3-6-13(14)18/h4-5,8,13-14,16H,2-3,6-7,9-11H2,1H3
InChIKeyKERDQTQGJFKCFL-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-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine (CID 62293718) is N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1N1CCOC2CCCC21.
What is the InChIKey of N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is KERDQTQGJFKCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-16-11-12-5-4-8-17-15(12)18-9-10-19-14-7-3-6-13(14)18/h4-5,8,13-14,16H,2-3,6-7,9-11H2,1H3.
What are the key properties of N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine?
N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-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-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62293718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).