1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine

C17H33N3O — CID 79413710

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(CC2CN3CCCC3CO2)C(C)C1C
InChIInChI=1S/C17H33N3O/c1-4-18-17-7-9-19(14(3)13(17)2)10-16-11-20-8-5-6-15(20)12-21-16/h13-18H,4-12H2,1-3H3
InChIKeyGFCCLHYYKAVBIY-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.56
Rot. Bonds4

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine (PubChem CID 79413710) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
PubChem CID79413710
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(CC2CN3CCCC3CO2)C(C)C1C
InChIInChI=1S/C17H33N3O/c1-4-18-17-7-9-19(14(3)13(17)2)10-16-11-20-8-5-6-15(20)12-21-16/h13-18H,4-12H2,1-3H3
InChIKeyGFCCLHYYKAVBIY-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethylpiperidin-4-amine
CID 79072123
methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)azetidine-2-carboxylate
CID 112581577
3-[(2,5,5-trimethylpiperazin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 79077121
3-[(3-methylpiperazin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 79072001
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine
CID 142750888
(3R)-3-(chloromethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 138550760
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)-5-methylthiolan-3-amine
CID 79950813
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)ethanesulfonamide
CID 78917432
N-ethyl-4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxolan-3-amine
CID 79934970
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-propan-2-ylpyrrolidin-3-amine
CID 79071917
1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 79071420

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine (CID 79413710) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine is CCNC1CCN(CC2CN3CCCC3CO2)C(C)C1C.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The InChIKey is GFCCLHYYKAVBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-18-17-7-9-19(14(3)13(17)2)10-16-11-20-8-5-6-15(20)12-21-16/h13-18H,4-12H2,1-3H3.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine has a molecular weight of 295.47 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79413710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).