(5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine

C12H13N3O — CID 139581203

IUPAC(5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine
SMILESC[C@@H]1COc2c(N)cccc2-c2cncn21
InChIInChI=1S/C12H13N3O/c1-8-6-16-12-9(3-2-4-10(12)13)11-5-14-7-15(8)11/h2-5,7-8H,6,13H2,1H3/t8-/m1/s1
InChIKeyYBHVGLCROIGRFU-MRVPVSSYSA-N
MW215.26 g/mol
LogP2.09
Rot. Bonds

About (5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine

(5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine (PubChem CID 139581203) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine.

Molecular Properties

Compound Name(5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine
PubChem CID139581203
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine
SMILESC[C@@H]1COc2c(N)cccc2-c2cncn21
InChIInChI=1S/C12H13N3O/c1-8-6-16-12-9(3-2-4-10(12)13)11-5-14-7-15(8)11/h2-5,7-8H,6,13H2,1H3/t8-/m1/s1
InChIKeyYBHVGLCROIGRFU-MRVPVSSYSA-N
XLogP2.09
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-amino-3,4-dimethyl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 83853096
3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine
CID 114720940
3-[3-(2,3-dimethylcyclopentyl)imidazol-4-yl]pyridin-2-amine
CID 114720988
8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene
CID 175894939
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine
CID 129282635
2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine
CID 114695777
5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
CID 137374403
(1R)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405700
(1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405860
trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine
CID 102738943
4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one
CID 129282950
2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid
CID 84737107

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine?
The IUPAC name of (5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine (CID 139581203) is (5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine.
What is the SMILES notation for (5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine?
The canonical SMILES for (5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine is C[C@@H]1COc2c(N)cccc2-c2cncn21.
What is the InChIKey of (5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine?
The InChIKey is YBHVGLCROIGRFU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-6-16-12-9(3-2-4-10(12)13)11-5-14-7-15(8)11/h2-5,7-8H,6,13H2,1H3/t8-/m1/s1.
What are the key properties of (5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine?
(5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine has a molecular weight of 215.26 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine is sourced from PubChem (CID 139581203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).