2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine

C15H24N4O2 — CID 79079795

IUPAC2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(NCC2CN3CCCC3CO2)ccc1N
InChIInChI=1S/C15H24N4O2/c1-2-20-15-13(16)5-6-14(18-15)17-8-12-9-19-7-3-4-11(19)10-21-12/h5-6,11-12H,2-4,7-10,16H2,1H3,(H,17,18)
InChIKeyIWXBXSXHRPMHSC-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.34
Rot. Bonds5

About 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine

2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine (PubChem CID 79079795) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine
PubChem CID79079795
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(NCC2CN3CCCC3CO2)ccc1N
InChIInChI=1S/C15H24N4O2/c1-2-20-15-13(16)5-6-14(18-15)17-8-12-9-19-7-3-4-11(19)10-21-12/h5-6,11-12H,2-4,7-10,16H2,1H3,(H,17,18)
InChIKeyIWXBXSXHRPMHSC-UHFFFAOYSA-N
XLogP1.34
TPSA72.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 80851211
2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine
CID 79176823
4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80941593
4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80833651
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-3-chloropyridine-2-carboxylic acid
CID 79082719
4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrimidine-4,5-diamine
CID 79916509
4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80833834
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 80946821
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4,6-dimethylpyrimidin-2-amine
CID 79071229
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 115355198
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 78956169
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-ethoxybenzamide
CID 94822684

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine (CID 79079795) is 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine is CCOc1nc(NCC2CN3CCCC3CO2)ccc1N.
What is the InChIKey of 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine?
The InChIKey is IWXBXSXHRPMHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-20-15-13(16)5-6-14(18-15)17-8-12-9-19-7-3-4-11(19)10-21-12/h5-6,11-12H,2-4,7-10,16H2,1H3,(H,17,18).
What are the key properties of 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine?
2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine has a molecular weight of 292.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine is sourced from PubChem (CID 79079795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).