3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

C16H26N4O — CID 79072292

IUPAC3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCCc1nc2c(n1CC1CN3CCCC3CO1)CCNC2
InChIInChI=1S/C16H26N4O/c1-2-16-18-14-8-17-6-5-15(14)20(16)10-13-9-19-7-3-4-12(19)11-21-13/h12-13,17H,2-11H2,1H3
InChIKeyLJFLFIVYAGZKSN-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.95
Rot. Bonds3

About 3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 79072292) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID79072292
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCCc1nc2c(n1CC1CN3CCCC3CO1)CCNC2
InChIInChI=1S/C16H26N4O/c1-2-16-18-14-8-17-6-5-15(14)20(16)10-13-9-19-7-3-4-12(19)11-21-13/h12-13,17H,2-11H2,1H3
InChIKeyLJFLFIVYAGZKSN-UHFFFAOYSA-N
XLogP0.95
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine with MolForge

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Related Compounds

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
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 79071653
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-tert-butyl-1H-imidazole-2-thione
CID 81335237
2-methyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859333
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-(methylamino)pyrrolidin-2-one
CID 79071121
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115948648
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethanol
CID 67377936
(3R)-3-(chloromethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 138550760
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81140466
6-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 80851211
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 79071094

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of 3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (CID 79072292) is 3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for 3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for 3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is CCc1nc2c(n1CC1CN3CCCC3CO1)CCNC2.
What is the InChIKey of 3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is LJFLFIVYAGZKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-16-18-14-8-17-6-5-15(14)20(16)10-13-9-19-7-3-4-12(19)11-21-13/h12-13,17H,2-11H2,1H3.
What are the key properties of 3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 290.41 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 79072292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).