2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol

C15H30N2O2 — CID 81419074

IUPAC2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC1CN2CCCC2CO1
InChIInChI=1S/C15H30N2O2/c1-3-15(4-2,12-18)11-16-8-14-9-17-7-5-6-13(17)10-19-14/h13-14,16,18H,3-12H2,1-2H3
InChIKeyVYVXUCDRHZFIHN-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.24
Rot. Bonds7

About 2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol

2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol (PubChem CID 81419074) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol
PubChem CID81419074
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC1CN2CCCC2CO1
InChIInChI=1S/C15H30N2O2/c1-3-15(4-2,12-18)11-16-8-14-9-17-7-5-6-13(17)10-19-14/h13-14,16,18H,3-12H2,1-2H3
InChIKeyVYVXUCDRHZFIHN-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol with MolForge

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Related Compounds

(2R)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)propan-2-ol
CID 106932276
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-cyclopropylethanamine
CID 79083145
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)propane-1,2-diol
CID 82849706
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-4,4-dimethylpentanenitrile
CID 115653464
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-methylbutan-1-amine
CID 79079867
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-N-propan-2-ylacetamide
CID 79083440
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79082475
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethanol
CID 67377936
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 79708212
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2,2-difluoroethanamine
CID 79083150
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-3-ethoxypropan-2-ol
CID 79082563
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)ethanesulfonamide
CID 78917432

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol (CID 81419074) is 2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCC1CN2CCCC2CO1.
What is the InChIKey of 2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol?
The InChIKey is VYVXUCDRHZFIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-15(4-2,12-18)11-16-8-14-9-17-7-5-6-13(17)10-19-14/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of 2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol?
2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol has a molecular weight of 270.42 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81419074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).