3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine

C14H22N4O — CID 79088765

IUPAC3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C(N)C1CN2CCCC2CO1
InChIInChI=1S/C14H22N4O/c1-9-4-5-17-14(16)12(9)13(15)11-7-18-6-2-3-10(18)8-19-11/h4-5,10-11,13H,2-3,6-8,15H2,1H3,(H2,16,17)
InChIKeyLLJWAVDMZHVMMM-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.84
Rot. Bonds2

About 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine

3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine (PubChem CID 79088765) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine
PubChem CID79088765
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C(N)C1CN2CCCC2CO1
InChIInChI=1S/C14H22N4O/c1-9-4-5-17-14(16)12(9)13(15)11-7-18-6-2-3-10(18)8-19-11/h4-5,10-11,13H,2-3,6-8,15H2,1H3,(H2,16,17)
InChIKeyLLJWAVDMZHVMMM-UHFFFAOYSA-N
XLogP0.84
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine with MolForge

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 79089404
3-[amino-(4-ethylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine
CID 79666192
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine
CID 104515867
(1R)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)ethanamine
CID 104932115
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(thiophen-3-yl)methanamine
CID 79088210
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,3,4-trifluorophenyl)methanamine
CID 79088216
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
(1S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)propan-1-amine
CID 104932294
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 79740055
3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 166052331
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,6-difluoro-3-methylphenyl)methanol
CID 82822204
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 79095648

Frequently Asked Questions

What is the IUPAC name of 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine (CID 79088765) is 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine is Cc1ccnc(N)c1C(N)C1CN2CCCC2CO1.
What is the InChIKey of 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine?
The InChIKey is LLJWAVDMZHVMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-4-5-17-14(16)12(9)13(15)11-7-18-6-2-3-10(18)8-19-11/h4-5,10-11,13H,2-3,6-8,15H2,1H3,(H2,16,17).
What are the key properties of 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine?
3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 79088765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).