6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine

C7H15N3O — CID 123450803

IUPAC6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine
SMILESCN1CC2OCCN(N)C2C1
InChIInChI=1S/C7H15N3O/c1-9-4-6-7(5-9)11-3-2-10(6)8/h6-7H,2-5,8H2,1H3
InChIKeyLCKZDVFETREAPL-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.13
Rot. Bonds

About 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine

6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine (PubChem CID 123450803) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine
PubChem CID123450803
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine
SMILESCN1CC2OCCN(N)C2C1
InChIInChI=1S/C7H15N3O/c1-9-4-6-7(5-9)11-3-2-10(6)8/h6-7H,2-5,8H2,1H3
InChIKeyLCKZDVFETREAPL-UHFFFAOYSA-N
XLogP-1.13
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

(4aS,7aR)-4,6-dimethyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 90339163
(4aR,7aR)-6-methyl-4-prop-2-ynyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 130654162
2-cyclopropyl-4-methylmorpholine
CID 121357634
(4aR,7aR)-4-benzyl-6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 90339232
6-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 126565926
4-methyl-2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)morpholine
CID 137455480
(4aS,7aS)-6-tert-butyl-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 176638930
6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride
CID 146675358
1-methyl-6-propan-2-yl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine
CID 178050349
(2R)-4-methyl-2-propan-2-ylmorpholine
CID 155242186
ethane;5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;sulfane
CID 153330745
N'-(2-aminoethyl)-N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171859

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine?
The IUPAC name of 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine (CID 123450803) is 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine.
What is the SMILES notation for 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine?
The canonical SMILES for 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine is CN1CC2OCCN(N)C2C1.
What is the InChIKey of 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine?
The InChIKey is LCKZDVFETREAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-9-4-6-7(5-9)11-3-2-10(6)8/h6-7H,2-5,8H2,1H3.
What are the key properties of 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine?
6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine has a molecular weight of 157.22 g/mol, XLogP of -1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-amine is sourced from PubChem (CID 123450803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).