1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine

C15H23N3O — CID 104736553

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNC(Cc1cccnc1)C1CN2CCCC2CO1
InChIInChI=1S/C15H23N3O/c1-16-14(8-12-4-2-6-17-9-12)15-10-18-7-3-5-13(18)11-19-15/h2,4,6,9,13-16H,3,5,7-8,10-11H2,1H3
InChIKeyRJQHXSNNOYBPOR-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.08
Rot. Bonds4

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine (PubChem CID 104736553) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine
PubChem CID104736553
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine
SMILESCNC(Cc1cccnc1)C1CN2CCCC2CO1
InChIInChI=1S/C15H23N3O/c1-16-14(8-12-4-2-6-17-9-12)15-10-18-7-3-5-13(18)11-19-15/h2,4,6,9,13-16H,3,5,7-8,10-11H2,1H3
InChIKeyRJQHXSNNOYBPOR-UHFFFAOYSA-N
XLogP1.08
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.08
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-yl)-N-methyl-2-pyridin-3-ylethanamine 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-yl)-2-(4-bromophenyl)-N-methylethanamine
CID 79088224
4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 79088315
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methylpropan-1-amine
CID 79089229
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857751
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 79088688
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105245028
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105245097
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79095875
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N,3-dimethylbut-3-en-1-amine
CID 79186551
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-ethoxy-N-methylethanamine
CID 79569533
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-phenylbutyl]hydrazine
CID 105244974
N-methyl-1-(2-methylcyclopentyl)-2-pyridin-3-ylethanamine
CID 107190771

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-yl)-N-methyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine (CID 104736553) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine is CNC(Cc1cccnc1)C1CN2CCCC2CO1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine?
The InChIKey is RJQHXSNNOYBPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-14(8-12-4-2-6-17-9-12)15-10-18-7-3-5-13(18)11-19-15/h2,4,6,9,13-16H,3,5,7-8,10-11H2,1H3.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-pyridin-3-ylethanamine has a molecular weight of 261.37 g/mol, XLogP of 1.08, 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-yl)-N-methyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 104736553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).