5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine

C15H27N5O — CID 79080264

IUPAC5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine
SMILESCN(C)c1ncc(CNCC2CN3CCCC3CO2)n1C
InChIInChI=1S/C15H27N5O/c1-18(2)15-17-8-13(19(15)3)7-16-9-14-10-20-6-4-5-12(20)11-21-14/h8,12,14,16H,4-7,9-11H2,1-3H3
InChIKeyUTEVWCUEHGGVLH-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.44
Rot. Bonds5

About 5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine

5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine (PubChem CID 79080264) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine.

Molecular Properties

Compound Name5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine
PubChem CID79080264
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine
SMILESCN(C)c1ncc(CNCC2CN3CCCC3CO2)n1C
InChIInChI=1S/C15H27N5O/c1-18(2)15-17-8-13(19(15)3)7-16-9-14-10-20-6-4-5-12(20)11-21-14/h8,12,14,16H,4-7,9-11H2,1-3H3
InChIKeyUTEVWCUEHGGVLH-UHFFFAOYSA-N
XLogP0.44
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-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-yl)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]methanamine
CID 79082651
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine
CID 104753636
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
CID 79082499
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(5-bromo-2-pyridinyl)methyl]methanamine
CID 78961701
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107911728
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 78952231
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-methylbutan-1-amine
CID 79079867
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(4-methoxyphenyl)methyl]methanamine
CID 78943292
4-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-2,6-difluorophenol
CID 79832784
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
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-bromopyrimidin-2-amine
CID 78953515
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 5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine?
The IUPAC name of 5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine (CID 79080264) is 5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine.
What is the SMILES notation for 5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine?
The canonical SMILES for 5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine is CN(C)c1ncc(CNCC2CN3CCCC3CO2)n1C.
What is the InChIKey of 5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine?
The InChIKey is UTEVWCUEHGGVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-18(2)15-17-8-13(19(15)3)7-16-9-14-10-20-6-4-5-12(20)11-21-14/h8,12,14,16H,4-7,9-11H2,1-3H3.
What are the key properties of 5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine?
5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine has a molecular weight of 293.41 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-N,N,1-trimethylimidazol-2-amine is sourced from PubChem (CID 79080264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).