2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol

C16H30N2O2 — CID 79587643

IUPAC2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCN1CCOC2CCCCC21
InChIInChI=1S/C16H30N2O2/c17-12-16(19)8-3-4-13(16)7-9-18-10-11-20-15-6-2-1-5-14(15)18/h13-15,19H,1-12,17H2
InChIKeyJLHAJSWMRKTZIV-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.51
Rot. Bonds4

About 2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol

2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol (PubChem CID 79587643) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol
PubChem CID79587643
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCN1CCOC2CCCCC21
InChIInChI=1S/C16H30N2O2/c17-12-16(19)8-3-4-13(16)7-9-18-10-11-20-15-6-2-1-5-14(15)18/h13-15,19H,1-12,17H2
InChIKeyJLHAJSWMRKTZIV-UHFFFAOYSA-N
XLogP1.51
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-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

4-[2-(1,3-dioxan-2-yl)ethyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 66475128
1-(aminomethyl)-2-[2-(3-ethylmorpholin-4-yl)ethyl]cyclopentan-1-ol
CID 79586937
1-(aminomethyl)-2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopentan-1-ol
CID 79587757
1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol
CID 79588233
1-(aminomethyl)-2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79588423
1-(aminomethyl)-2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79587379
1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol
CID 79588323
1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol
CID 79588118
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine
CID 55243016
1-(aminomethyl)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol
CID 79586964
hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate
CID 66339147
1-(aminomethyl)-2-[2-(3,5-diethylpyrazol-1-yl)ethyl]cyclopentan-1-ol
CID 82699993

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol?
The IUPAC name of 2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol (CID 79587643) is 2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol?
The canonical SMILES for 2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol is NCC1(O)CCCC1CCN1CCOC2CCCCC21.
What is the InChIKey of 2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol?
The InChIKey is JLHAJSWMRKTZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c17-12-16(19)8-3-4-13(16)7-9-18-10-11-20-15-6-2-1-5-14(15)18/h13-15,19H,1-12,17H2.
What are the key properties of 2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol?
2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol has a molecular weight of 282.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol is sourced from PubChem (CID 79587643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).