N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine

C16H28N2O2 — CID 79900777

IUPACN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESC1CC2COC(CNC3CCOC4(CCC4)C3)CN2C1
InChIInChI=1S/C16H28N2O2/c1-3-14-12-19-15(11-18(14)7-1)10-17-13-4-8-20-16(9-13)5-2-6-16/h13-15,17H,1-12H2
InChIKeyIZQGXYBNZZEFGH-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.54
Rot. Bonds3

About N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79900777) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79900777
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESC1CC2COC(CNC3CCOC4(CCC4)C3)CN2C1
InChIInChI=1S/C16H28N2O2/c1-3-14-12-19-15(11-18(14)7-1)10-17-13-4-8-20-16(9-13)5-2-6-16/h13-15,17H,1-12H2
InChIKeyIZQGXYBNZZEFGH-UHFFFAOYSA-N
XLogP1.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine with MolForge

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903156
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyloxan-4-amine
CID 79082420
(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine
CID 97102884
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)-5-methylthiolan-3-amine
CID 79950813
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-prop-2-ynylpiperidin-4-amine
CID 79083004
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107448600
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-amine
CID 79900305
N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 106025437
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethanol
CID 67377936
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-cyclopropylethanamine
CID 79083145

Frequently Asked Questions

What is the IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79900777) is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine is C1CC2COC(CNC3CCOC4(CCC4)C3)CN2C1.
What is the InChIKey of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is IZQGXYBNZZEFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-14-12-19-15(11-18(14)7-1)10-17-13-4-8-20-16(9-13)5-2-6-16/h13-15,17H,1-12H2.
What are the key properties of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 280.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79900777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).