5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol

C16H32N2O2 — CID 106809456

IUPAC5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCN1CCOC2CCCC21
InChIInChI=1S/C16H32N2O2/c1-3-16(13-19,17-4-2)9-6-10-18-11-12-20-15-8-5-7-14(15)18/h14-15,17,19H,3-13H2,1-2H3
InChIKeyIYGBIXONEYTYQN-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.77
Rot. Bonds8

About 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol

5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol (PubChem CID 106809456) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
PubChem CID106809456
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCN1CCOC2CCCC21
InChIInChI=1S/C16H32N2O2/c1-3-16(13-19,17-4-2)9-6-10-18-11-12-20-15-8-5-7-14(15)18/h14-15,17,19H,3-13H2,1-2H3
InChIKeyIYGBIXONEYTYQN-UHFFFAOYSA-N
XLogP1.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol 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

N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]-5-methylhexan-2-amine
CID 55089983
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-4-methylhexan-1-amine
CID 61663362
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-(methylamino)propan-2-ol
CID 61664249
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-(ethylamino)propan-2-ol
CID 61664250
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-(propylamino)propan-2-ol
CID 61664251
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-(propan-2-ylamino)propan-2-ol
CID 61664298
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(ethylamino)-2-methylhexanenitrile
CID 61908349
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(propylamino)hexanenitrile
CID 61908350
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 61908566
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylhexan-2-amine
CID 61942233
N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 62258707
N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 62258879

Frequently Asked Questions

What is the IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol?
The IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol (CID 106809456) is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol.
What is the SMILES notation for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol?
The canonical SMILES for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol is CCNC(CC)(CO)CCCN1CCOC2CCCC21.
What is the InChIKey of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol?
The InChIKey is IYGBIXONEYTYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-16(13-19,17-4-2)9-6-10-18-11-12-20-15-8-5-7-14(15)18/h14-15,17,19H,3-13H2,1-2H3.
What are the key properties of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol?
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol has a molecular weight of 284.44 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol is sourced from PubChem (CID 106809456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).