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

C14H28N2O2 — CID 103226045

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCOC2CCCC21
InChIInChI=1S/C14H28N2O2/c1-3-7-15-10-12(11-17-2)16-8-9-18-14-6-4-5-13(14)16/h12-15H,3-11H2,1-2H3
InChIKeyUZJIYNKPXIIQBK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.25
Rot. Bonds7

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

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine (PubChem CID 103226045) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine
PubChem CID103226045
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCOC2CCCC21
InChIInChI=1S/C14H28N2O2/c1-3-7-15-10-12(11-17-2)16-8-9-18-14-6-4-5-13(14)16/h12-15H,3-11H2,1-2H3
InChIKeyUZJIYNKPXIIQBK-UHFFFAOYSA-N
XLogP1.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine
CID 103227390
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-ethylpentan-1-amine
CID 83054122
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide
CID 66428466
(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 170523770
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methoxypropanoic acid
CID 103224698
N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine
CID 62570516
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(2-methylpropyl)butan-1-amine
CID 62446728
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 103227415
methyl 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(ethylamino)-2-methylpentanoate
CID 64711437
methyl 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methylbutanoate
CID 79407124
2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103225146
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpropan-1-amine
CID 55070945

Frequently Asked Questions

What is the IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine (CID 103226045) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine is CCCNCC(COC)N1CCOC2CCCC21.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is UZJIYNKPXIIQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-7-15-10-12(11-17-2)16-8-9-18-14-6-4-5-13(14)16/h12-15H,3-11H2,1-2H3.
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 103226045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).